#------------------------------------------------------------------------------
#$Date: 2022-02-04 21:33:56 +0200 (Fri, 04 Feb 2022) $
#$Revision: 272658 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/89/7708928.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7708928
loop_
_publ_author_name
'Kajiwara, Yuu'
'Miyata, Seiya'
'Nakai, Hidetaka'
_publ_section_title
;
Unusual motion of the n-methoxypropyl moiety observed in the
photochromic crystals of an organorhodium dithionite complex with
n-methoxypropyltetramethylcyclopentadienyl ligands.
;
_journal_issue 1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first 48
_journal_page_last 52
_journal_paper_doi 10.1039/d1dt03347f
_journal_volume 51
_journal_year 2021
_chemical_absolute_configuration 'CHOOSE rm ad rmad syn or unk'
_chemical_formula_moiety 'C28 H46 O6 Rh2 S2'
_chemical_formula_sum 'C28 H46 O6 Rh2 S2'
_chemical_formula_weight 748.60
_space_group_crystal_system monoclinic
_space_group_IT_number 9
_space_group_name_Hall 'C -2yc'
_space_group_name_H-M_alt 'C 1 c 1'
_atom_sites_solution_hydrogens geom
_atom_sites_solution_primary direct
_atom_sites_solution_secondary difmap
_audit_update_record
;
2021-10-02 deposited with the CCDC. 2021-11-25 downloaded from the CCDC.
;
_cell_angle_alpha 90.0000
_cell_angle_beta 93.612(3)
_cell_angle_gamma 90.0000
_cell_formula_units_Z 4
_cell_length_a 15.0793(6)
_cell_length_b 19.4818(10)
_cell_length_c 10.5855(4)
_cell_measurement_reflns_used 7432
_cell_measurement_temperature 296
_cell_measurement_theta_max 30.82
_cell_measurement_theta_min 3.80
_cell_volume 3103.5(2)
_computing_cell_refinement 'CrysAlisPro 1.171.39.20a (Rigaku OD, 2015)'
_computing_data_collection 'CrysAlisPro 1.171.39.20a (Rigaku OD, 2015)'
_computing_data_reduction 'CrysAlisPro 1.171.39.20a (Rigaku OD, 2015)'
_computing_molecular_graphics 'CrystalStructure 4.2.2'
_computing_publication_material 'CrystalStructure 4.2.2 (Rigaku, 2016)'
_computing_structure_refinement 'SHELXL Version 2014/7 (Sheldrick, 2008)'
_computing_structure_solution 'SHELXT Version 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature 296
_diffrn_detector_area_resol_mean 5.811
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.907
_diffrn_measurement_device_type 'Rigaku XtaLAB P200'
_diffrn_measurement_method \w
_diffrn_radiation_type 'Mo K\a'
_diffrn_radiation_wavelength 0.71075
_diffrn_reflns_av_R_equivalents 0.0270
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.907
_diffrn_reflns_limit_h_max 21
_diffrn_reflns_limit_h_min -18
_diffrn_reflns_limit_k_max 27
_diffrn_reflns_limit_k_min -28
_diffrn_reflns_limit_l_max 14
_diffrn_reflns_limit_l_min -14
_diffrn_reflns_number 16265
_diffrn_reflns_point_group_measured_fraction_full 0.862
_diffrn_reflns_point_group_measured_fraction_max 0.744
_diffrn_reflns_theta_full 25.242
_diffrn_reflns_theta_max 31.233
_diffrn_reflns_theta_min 2.640
_diffrn_standards_number 0
_exptl_absorpt_coefficient_mu 1.234
_exptl_absorpt_correction_T_max 0.884
_exptl_absorpt_correction_T_min 0.861
_exptl_absorpt_correction_type multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.20a (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour red-orange
_exptl_crystal_density_diffrn 1.602
_exptl_crystal_density_method 'not measured'
_exptl_crystal_description block
_exptl_crystal_F_000 1536.00
_exptl_crystal_size_max 0.200
_exptl_crystal_size_mid 0.150
_exptl_crystal_size_min 0.100
_refine_diff_density_max 0.84
_refine_diff_density_min -0.42
_refine_ls_abs_structure_details
;
Flack x determined using 2291 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack -0.02(2)
_refine_ls_extinction_method none
_refine_ls_goodness_of_fit_ref 1.042
_refine_ls_hydrogen_treatment constr
_refine_ls_number_parameters 362
_refine_ls_number_reflns 7491
_refine_ls_number_restraints 2
_refine_ls_R_factor_all 0.0436
_refine_ls_R_factor_gt 0.0343
_refine_ls_shift/su_max 0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0467P)^2^+2.3588P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme calc
_refine_ls_wR_factor_gt 0.0817
_refine_ls_wR_factor_ref 0.0862
_reflns_Friedel_coverage 0.637
_reflns_Friedel_fraction_full 0.725
_reflns_Friedel_fraction_max 0.580
_reflns_number_gt 6549
_reflns_number_total 7491
_reflns_threshold_expression F^2^>2.0\s(F^2^)
_cod_data_source_file d1dt03347f2.cif
_cod_data_source_block sample6
_cod_depositor_comments
'Adding full bibliography for 7708925--7708931.cif.'
_cod_database_code 7708928
_shelx_res_file
;
shelxl.res created by SHELXL-2014/7
TITL sample6
CELL 0.71075 15.07930 19.48180 10.58550 90.00000 93.61200 90.00000
ZERR 4 0.00060 0.00100 0.00040 0.00000 0.00300 0.00000
LATT -7
SYMM +X, -Y, .50+Z
SFAC C H RH S O
UNIT 112 184 8 8 24
L.S. 30
FMAP 2
PLAN 5
WPDB -2
HTAB
BOND $H
CONF
LIST 4
TEMP 23.0
ACTA
SIZE 0.200 0.150 0.100
WGHT 0.046700 2.358800
FVAR 0.21760
RH1 3 0.562161 0.143771 0.939231 11.00000 0.03185 0.03953 =
0.02981 0.00115 0.00174 -0.00431
RH2 3 0.487409 0.232197 1.087850 11.00000 0.02948 0.04666 =
0.03064 -0.00170 -0.00408 0.00235
S1 4 0.689306 0.153922 1.067899 11.00000 0.03855 0.06860 =
0.05815 0.00544 -0.01286 -0.00153
S2 4 0.618428 0.235546 1.208728 11.00000 0.03887 0.07683 =
0.04893 -0.00776 -0.01741 0.00322
O1 5 0.710731 0.095273 1.144662 11.00000 0.06349 0.08416 =
0.07600 0.00829 -0.01026 0.02402
O2 5 0.762419 0.186485 1.013217 10.87000 0.03897 0.09782 =
0.09788 0.00584 -0.00326 -0.01164
O3 5 0.615412 0.201794 1.329391 11.00000 0.07319 0.10430 =
0.05145 -0.00484 -0.02283 0.01558
O4 5 0.666616 0.298699 1.204131 10.88000 0.06867 0.09024 =
0.08535 -0.01895 -0.02342 -0.01584
O6 5 0.700800 0.219570 1.138747 10.25000 0.04502 0.11754 =
0.08118 -0.02334 -0.02329 0.01190
O7 5 0.246469 -0.033338 0.891425 11.00000 0.09556 0.19324 =
0.13900 -0.04828 0.04644 -0.07116
O8 5 0.504417 0.547499 1.168603 11.00000 0.09319 0.07273 =
0.12374 0.01917 -0.01337 -0.00289
C1 1 0.468219 0.080022 0.812767 11.00000 0.04046 0.04928 =
0.04699 -0.01227 0.00327 -0.00777
C2 1 0.536352 0.037417 0.865197 11.00000 0.07272 0.04358 =
0.04475 -0.00625 0.00458 0.00437
C3 1 0.619268 0.060170 0.826272 11.00000 0.05371 0.09585 =
0.06475 -0.03683 -0.00423 0.00481
C4 1 0.601593 0.118215 0.745245 11.00000 0.07794 0.09180 =
0.04794 -0.02111 0.02345 -0.04747
C5 1 0.510298 0.129931 0.735337 11.00000 0.09808 0.04587 =
0.03336 -0.00192 -0.01241 -0.00412
C6 1 0.371498 0.071311 0.824715 11.00000 0.03838 0.09428 =
0.09561 -0.04892 0.01404 -0.02091
AFIX 23
H6A 2 0.342063 0.114783 0.806435 11.00000 -1.20000
H6B 2 0.361359 0.059175 0.911499 11.00000 -1.20000
AFIX 0
C7 1 0.522102 -0.025269 0.944596 11.00000 0.15265 0.04403 =
0.08351 0.01350 0.01377 0.00663
AFIX 137
H7A 2 0.510699 -0.064189 0.890364 11.00000 -1.20000
H7B 2 0.472220 -0.017901 0.994996 11.00000 -1.20000
H7C 2 0.574301 -0.033687 0.999053 11.00000 -1.20000
AFIX 0
C8 1 0.705423 0.026892 0.851658 11.00000 0.06898 0.20189 =
0.15931 -0.11282 -0.01558 0.05144
AFIX 137
H8A 2 0.726084 0.009332 0.774031 11.00000 -1.20000
H8B 2 0.699393 -0.010201 0.910200 11.00000 -1.20000
H8C 2 0.747378 0.059689 0.887419 11.00000 -1.20000
AFIX 0
C9 1 0.670765 0.154434 0.674198 11.00000 0.21202 0.21269 =
0.09300 -0.06805 0.10074 -0.15691
AFIX 137
H9A 2 0.649154 0.198944 0.648378 11.00000 -1.20000
H9B 2 0.683343 0.128089 0.600801 11.00000 -1.20000
H9C 2 0.724064 0.159447 0.727947 11.00000 -1.20000
AFIX 0
C10 1 0.463386 0.180080 0.652368 11.00000 0.24420 0.06639 =
0.06293 0.00470 -0.06119 0.00332
AFIX 137
H10A 2 0.463646 0.164870 0.566131 11.00000 -1.20000
H10B 2 0.492619 0.223761 0.660863 11.00000 -1.20000
H10C 2 0.403164 0.184457 0.675765 11.00000 -1.20000
AFIX 0
C11 1 0.329736 0.016434 0.736701 11.00000 0.05307 0.10468 =
0.08831 -0.04075 0.00766 -0.02628
AFIX 23
H11A 2 0.325917 0.033523 0.650461 11.00000 -1.20000
H11B 2 0.367316 -0.024017 0.739631 11.00000 -1.20000
AFIX 0
C12 1 0.239309 -0.002654 0.773595 11.00000 0.05563 0.20189 =
0.13747 -0.09416 0.01906 -0.04996
AFIX 23
H12A 2 0.202366 0.038020 0.776181 11.00000 -1.20000
H12B 2 0.211845 -0.034147 0.711859 11.00000 -1.20000
AFIX 0
C13 1 0.168383 -0.049536 0.942958 11.00000 0.11257 0.45990 =
0.15110 -0.11391 0.05511 -0.13775
AFIX 137
H13A 2 0.133143 -0.077787 0.884921 11.00000 -1.20000
H13B 2 0.136456 -0.008183 0.959385 11.00000 -1.20000
H13C 2 0.180653 -0.074026 1.020799 11.00000 -1.20000
AFIX 0
C14 1 0.422550 0.334595 1.100284 11.00000 0.03359 0.05189 =
0.06630 0.01058 -0.00083 0.00463
C15 1 0.420451 0.299877 1.221177 11.00000 0.03621 0.06320 =
0.04584 -0.00531 -0.00033 0.00656
C16 1 0.367151 0.239707 1.203616 11.00000 0.04560 0.05795 =
0.04705 -0.00434 0.01345 0.00991
C17 1 0.334831 0.237824 1.074864 11.00000 0.03021 0.06195 =
0.05474 -0.00872 0.00448 0.00671
C18 1 0.367973 0.295642 1.010337 11.00000 0.03035 0.07236 =
0.04772 0.00400 -0.00465 0.01174
C19 1 0.462744 0.402524 1.079858 11.00000 0.03665 0.05681 =
0.12227 0.01741 0.00368 0.00180
AFIX 23
H19A 2 0.477408 0.406411 0.992230 11.00000 -1.20000
H19B 2 0.517434 0.406574 1.132682 11.00000 -1.20000
AFIX 0
C20 1 0.459423 0.325111 1.345496 11.00000 0.07455 0.07753 =
0.06280 -0.02590 -0.00606 0.01120
AFIX 137
H20A 2 0.497034 0.290256 1.384236 11.00000 -1.20000
H20B 2 0.412532 0.335622 1.399652 11.00000 -1.20000
H20C 2 0.493805 0.365707 1.332676 11.00000 -1.20000
AFIX 0
C21 1 0.340850 0.193209 1.307410 11.00000 0.08917 0.07197 =
0.07265 0.01076 0.03879 0.01643
AFIX 137
H21A 2 0.315602 0.151840 1.271387 11.00000 -1.20000
H21B 2 0.297770 0.215864 1.355844 11.00000 -1.20000
H21C 2 0.392306 0.182099 1.361575 11.00000 -1.20000
AFIX 0
C22 1 0.267861 0.187408 1.020901 11.00000 0.03522 0.08968 =
0.09563 -0.03037 0.00524 0.00239
AFIX 137
H22A 2 0.211343 0.196312 1.054558 11.00000 -1.20000
H22B 2 0.286734 0.141674 1.043092 11.00000 -1.20000
H22C 2 0.262531 0.191885 0.930427 11.00000 -1.20000
AFIX 0
C23 1 0.344361 0.314857 0.876658 11.00000 0.04433 0.14171 =
0.06297 0.03619 -0.01065 0.01511
AFIX 137
H23A 2 0.284324 0.331464 0.869025 11.00000 -1.20000
H23B 2 0.349636 0.275355 0.823437 11.00000 -1.20000
H23C 2 0.383862 0.350172 0.851105 11.00000 -1.20000
AFIX 0
C24 1 0.398872 0.461913 1.111643 11.00000 0.04754 0.06732 =
0.16526 0.03265 0.01935 0.00498
AFIX 23
H24A 2 0.342190 0.455333 1.064647 11.00000 -1.20000
H24B 2 0.388588 0.460431 1.201139 11.00000 -1.20000
AFIX 0
C25 1 0.435315 0.530793 1.080098 11.00000 0.07997 0.06205 =
0.15371 0.02685 -0.01208 0.02138
AFIX 23
H25A 2 0.457137 0.529876 0.995850 11.00000 -1.20000
H25B 2 0.388808 0.565135 1.081431 11.00000 -1.20000
AFIX 0
C26 1 0.535809 0.611176 1.145489 11.00000 0.13477 0.07862 =
0.10106 0.00135 -0.01830 0.01194
AFIX 137
H26A 2 0.487343 0.643205 1.139673 11.00000 -1.20000
H26B 2 0.564704 0.610903 1.067231 11.00000 -1.20000
H26C 2 0.577611 0.624516 1.213193 11.00000 -1.20000
AFIX 0
C27 1 0.500014 0.128260 1.103854 11.00000 0.04397 0.04955 =
0.03063 0.00258 0.00453 0.00251
AFIX 23
H27A 2 0.444779 0.102698 1.094757 11.00000 -1.20000
H27B 2 0.538228 0.112502 1.175138 11.00000 -1.20000
AFIX 0
C28 1 0.564041 0.248791 0.937412 11.00000 0.03894 0.04126 =
0.04567 0.00298 0.00357 -0.00327
AFIX 23
H28A 2 0.533511 0.269974 0.864011 11.00000 -1.20000
H28B 2 0.621572 0.269517 0.958454 11.00000 -1.20000
AFIX 0
HKLF 4
REM sample6
REM R1 = 0.0343 for 6549 Fo > 4sig(Fo) and 0.0436 for all 7491 data
REM 362 parameters refined using 2 restraints
END
WGHT 0.0468 2.3526
REM No hydrogen bonds found for HTAB generation
REM Highest difference peak 0.838, deepest hole -0.418, 1-sigma level 0.087
Q1 1 0.4439 0.2412 1.1140 11.00000 0.05 0.77
Q2 1 0.6092 0.1387 0.9261 11.00000 0.05 0.76
Q3 1 0.5180 0.2505 1.0398 11.00000 0.05 0.75
Q4 1 0.5151 0.2665 1.0967 11.00000 0.05 0.71
Q5 1 0.5580 0.1249 0.8826 11.00000 0.05 0.69
;
_shelx_res_checksum 1661
_shelx_hkl_file
;
0 0 2 1189.99 31.89
0 0 2 1162.84 31.85
0 0 -2 1113.15 30.79
0 0 -2 1152.70 30.75
0 0 3 -0.37 0.60
0 0 3 0.27 0.57
0 0 3 0.28 0.46
0 0 -3 0.34 0.58
0 0 -3 1.27 0.51
0 0 4 720.78 21.15
0 0 4 763.44 20.91
0 0 4 789.70 21.06
0 0 -4 762.69 21.04
0 0 -4 766.58 21.15
0 0 5 -0.59 0.82
0 0 5 -0.19 1.04
0 0 5 1.31 1.29
0 0 -5 -0.42 0.98
0 0 -5 -0.24 1.12
0 0 6 1290.62 35.69
0 0 6 1318.97 36.14
0 0 6 1301.84 35.88
0 0 -6 1327.42 36.80
0 0 7 -2.10 1.38
0 0 7 -0.93 1.61
0 0 -7 0.07 2.00
0 0 8 1379.24 38.44
0 0 8 1418.41 39.03
0 0 -8 1435.34 40.18
0 0 9 0.17 2.05
0 0 -9 -0.62 3.02
0 0 10 2.90 2.30
0 0 -10 7.30 3.58
0 0 11 -0.22 2.42
0 0 -11 -1.44 4.22
0 0 12 146.55 6.54
0 0 -12 148.99 7.78
0 0 13 -3.65 3.36
0 0 -13 -1.23 6.06
0 0 14 183.79 8.20
0 0 -14 188.68 10.02
0 2 1 3511.07 94.62
0 2 2 2621.72 69.25
0 -2 2 2497.93 69.28
0 2 -2 2413.45 65.15
0 -2 3 136.38 4.09
0 2 3 145.70 4.36
0 -2 3 147.11 4.37
0 -2 -3 110.57 3.24
0 -2 -3 113.65 3.59
0 2 -3 111.44 3.59
0 -2 -3 120.73 3.58
0 -2 4 141.79 4.37
0 -2 4 138.27 4.40
0 2 4 135.73 4.47
0 -2 -4 141.79 4.62
0 2 -4 140.37 4.55
0 2 -4 147.57 4.22
0 -2 -4 145.82 4.54
0 -2 5 575.52 15.43
0 -2 5 618.35 15.26
0 -2 5 600.71 15.24
0 2 5 599.96 15.38
0 2 -5 576.76 16.32
0 -2 -5 606.91 16.79
0 -2 -5 634.39 16.95
0 -2 6 467.33 13.33
0 -2 6 481.92 13.65
0 2 6 442.63 13.51
0 -2 6 459.06 13.39
0 -2 -6 492.32 13.51
0 -2 -6 485.60 13.36
0 -2 7 416.89 12.57
0 2 7 452.02 12.95
0 -2 7 417.69 12.97
0 -2 7 439.23 12.77
0 -2 -7 424.50 11.40
0 -2 -7 437.29 11.65
0 2 8 594.19 17.50
0 -2 8 579.90 17.08
0 -2 8 609.26 17.38
0 -2 8 595.69 17.62
0 -2 -8 604.45 17.82
0 -2 -8 601.83 17.53
0 2 -8 605.40 17.96
0 2 9 227.51 8.09
0 -2 9 241.69 8.32
0 -2 9 236.71 7.66
0 -2 9 236.10 8.23
0 2 -9 227.68 8.59
0 -2 -9 241.77 7.90
0 -2 -9 233.64 8.36
0 -2 10 101.10 4.96
0 2 10 105.00 4.86
0 2 -10 84.80 5.78
0 -2 -10 98.41 5.27
0 -2 11 67.35 4.11
0 2 11 58.40 3.97
0 2 -11 62.73 5.71
0 -2 -11 63.45 5.16
0 2 12 51.57 4.06
0 -2 12 67.55 4.38
0 -2 -12 60.62 5.77
0 2 -12 55.56 6.12
0 2 13 41.95 4.16
0 -2 13 48.59 4.39
0 -2 -13 55.94 6.53
0 2 -13 44.65 6.78
0 2 14 52.69 4.77
0 2 -14 50.74 7.57
0 -2 -14 50.65 7.00
0 -4 0 361.38 10.05
0 -4 -1 716.28 19.46
0 4 2 885.11 24.25
0 4 -2 756.71 20.84
0 4 3 2099.39 57.16
0 -4 3 2109.76 57.27
0 -4 -3 2152.33 58.33
0 4 -3 2144.06 58.24
0 4 4 763.55 21.36
0 -4 4 769.41 21.43
0 4 -4 762.65 21.62
0 -4 -4 818.30 21.89
0 4 5 554.72 15.90
0 -4 5 558.69 15.92
0 -4 -5 585.97 16.51
0 -4 -5 572.60 16.49
0 -4 6 317.60 9.85
0 4 6 328.71 9.94
0 -4 6 336.39 9.89
0 -4 -6 331.11 9.78
0 -4 -6 319.82 9.66
0 4 -6 313.75 9.14
0 4 7 394.25 10.62
0 -4 7 413.50 10.65
0 -4 7 358.10 10.68
0 4 7 330.49 9.38
0 -4 7 398.48 10.51
0 4 7 310.18 9.39
0 -4 -7 390.44 11.94
0 4 -7 394.81 11.30
0 -4 -7 423.09 12.19
0 -4 8 274.33 9.02
0 4 8 264.13 8.92
0 -4 8 281.13 9.15
0 -4 8 280.03 8.78
0 -4 -8 297.44 8.84
0 -4 -8 297.71 9.08
0 -4 9 47.69 4.32
0 4 9 49.80 3.26
0 -4 9 50.27 3.43
0 -4 9 48.63 2.98
0 -4 -9 38.51 2.87
0 4 -9 34.81 1.57
0 4 -9 40.25 4.26
0 -4 10 447.46 13.70
0 4 10 421.18 13.43
0 -4 10 426.85 13.51
0 -4 10 412.46 13.03
0 4 -10 409.01 13.90
0 -4 -10 422.14 13.02
0 -4 -10 421.51 13.47
0 4 11 8.90 2.77
0 -4 11 10.48 2.37
0 -4 11 4.43 4.71
0 -4 -11 4.26 2.33
0 -4 -11 7.50 4.02
0 4 -11 4.00 4.97
0 4 12 34.90 3.47
0 4 -12 28.55 6.21
0 -4 -12 32.28 5.07
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10 -10 7 53.18 6.81
-10 10 -7 58.20 6.47
-10 10 -7 53.10 4.53
-10 -10 -7 52.60 4.17
10 10 8 10.17 2.63
10 -10 8 19.02 7.02
10 -10 8 9.79 2.77
10 -10 8 13.63 2.73
-10 10 -8 13.35 3.59
-10 10 -8 8.57 6.29
10 -10 9 8.55 7.48
10 -10 9 4.29 3.28
10 -10 9 12.91 3.12
10 10 9 13.33 2.84
10 -10 9 14.37 3.16
-10 10 -9 7.63 7.17
-10 10 -9 10.41 3.53
10 -10 10 23.40 3.65
10 10 10 31.50 3.41
10 -10 10 31.40 3.92
-10 10 -10 27.62 3.83
-10 10 -10 15.91 7.90
-10 -10 -10 27.36 4.10
10 -10 11 28.54 4.09
10 -10 11 21.98 3.78
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10 12 -11 6.73 6.34
10 12 -10 3.17 7.12
10 12 -10 -0.96 5.69
10 12 -9 163.52 9.29
10 12 -9 140.51 8.18
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10 12 -8 -0.55 6.44
10 12 -8 -5.00 5.26
-10 12 8 -6.68 5.07
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10 -12 -6 -0.60 2.37
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10 -12 -5 0.82 2.24
10 12 -5 6.00 5.31
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10 12 -4 15.26 5.33
10 -12 -4 17.51 2.68
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10 12 -3 388.35 13.56
10 -12 -3 403.70 12.74
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-10 -12 3 366.49 11.20
10 12 -2 12.97 5.12
10 -12 -2 8.95 2.76
-10 12 2 4.12 5.07
-10 -12 2 8.94 2.00
10 12 -1 524.74 16.53
10 -12 -1 533.76 16.31
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10 12 0 -1.57 4.55
10 -12 0 0.11 2.49
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10 12 1 25.22 4.53
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10 12 2 17.42 4.26
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-10 -12 -2 18.34 2.46
10 12 3 148.79 6.49
10 -12 3 145.72 6.24
-10 -12 -3 149.21 6.10
-10 12 -3 155.42 7.37
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10 12 4 27.66 4.15
10 -12 4 23.54 3.24
-10 -12 -4 23.76 3.12
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10 -12 5 541.43 16.29
10 12 5 495.44 15.32
-10 -12 -5 520.26 16.48
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10 -12 6 -1.69 3.14
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-10 -12 -6 4.58 2.92
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10 -12 7 75.46 4.74
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-10 -12 -7 72.02 4.82
10 -12 8 2.16 7.20
10 12 8 6.99 2.02
10 -12 8 5.79 2.93
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10 -12 9 0.42 3.23
10 -12 9 6.22 8.02
10 -12 9 1.78 3.18
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10 12 9 4.01 3.21
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10 12 10 -0.12 2.92
10 -12 10 -2.09 3.41
10 -12 10 -4.65 3.49
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10 14 -10 26.49 3.26
10 14 -10 30.23 7.12
10 14 -9 34.17 7.69
10 14 -9 29.76 6.59
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10 14 -8 43.06 6.56
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10 14 -5 49.26 6.37
10 -14 -5 46.44 3.57
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10 14 -4 42.12 6.21
10 -14 -4 47.56 3.65
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10 -14 -3 114.28 5.41
10 14 -3 98.16 7.05
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10 14 -2 71.42 6.46
10 -14 -2 76.66 4.55
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-10 -14 2 67.54 3.58
10 14 -1 169.57 8.01
10 -14 -1 157.01 6.70
-10 -14 1 162.62 6.08
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10 14 0 131.35 7.08
10 -14 0 121.74 5.76
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-10 -14 0 117.64 4.94
10 14 1 68.18 5.58
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10 14 2 35.81 4.83
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-10 -14 -2 39.83 3.35
10 14 3 92.52 5.83
10 -14 3 103.16 5.26
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10 14 4 92.25 5.64
10 -14 4 101.85 5.34
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-10 -14 -4 94.55 5.02
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10 -14 5 130.28 6.19
10 14 5 124.37 5.85
-10 -14 -5 124.46 6.06
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10 14 6 66.21 4.65
10 -14 6 70.42 4.81
10 14 6 56.49 4.29
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-10 -14 -6 72.62 4.80
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10 14 7 56.71 3.31
10 14 7 64.20 4.70
10 -14 7 61.91 4.72
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-10 -14 -7 66.95 4.81
-10 14 -7 59.54 5.76
10 -14 8 28.99 3.93
10 -14 8 28.26 3.87
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-10 -14 -8 22.94 4.05
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10 -14 9 14.10 3.60
10 -14 9 9.30 3.58
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10 14 9 13.51 3.81
10 -14 9 19.47 8.67
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-10 14 -9 17.51 4.56
10 14 10 11.07 3.39
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10 16 -9 4.45 7.20
10 16 -8 8.04 6.74
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10 16 -7 53.91 8.01
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10 16 -6 2.25 7.27
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10 16 -5 148.61 9.20
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10 16 -4 10.27 6.49
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10 -16 -3 90.18 4.86
10 16 -3 75.33 7.32
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10 -16 -2 20.23 3.10
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10 -16 -1 19.88 3.20
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10 -16 0 6.94 3.01
10 16 0 6.02 5.64
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10 16 2 6.53 5.11
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10 -16 3 142.88 6.59
10 16 3 133.59 7.00
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10 -16 4 7.27 3.22
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10 18 -2 12.02 6.94
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10 18 -1 12.19 6.61
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10 18 0 55.13 6.98
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10 20 -3 34.14 8.27
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10 20 -2 12.38 7.82
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10 20 -1 47.34 8.02
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10 20 0 28.35 7.10
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10 20 1 11.07 6.71
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10 22 -3 24.02 8.69
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10 22 -1 29.61 8.20
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10 -24 -1 -0.80 3.65
10 -24 0 19.72 4.08
11 1 -13 26.01 4.39
11 1 -13 29.17 4.22
11 -1 -13 31.65 4.13
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11 -1 -12 3.07 3.26
11 1 -12 7.46 3.70
11 -1 -12 9.38 2.86
11 -1 -11 1.99 2.39
11 1 -11 0.69 3.42
11 1 -11 0.30 2.60
11 -1 -11 0.33 2.91
11 -1 -10 22.48 2.60
11 1 -10 17.66 3.70
11 1 -10 16.26 2.92
11 -1 -10 13.06 3.36
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11 -1 -9 162.36 6.03
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11 -1 -9 167.85 6.84
11 1 -9 157.69 5.45
11 1 -8 56.20 4.36
11 -1 -8 60.87 2.95
11 1 -8 59.53 3.44
11 1 -8 56.13 2.97
11 -1 -8 63.57 3.21
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11 -1 -7 306.37 9.46
11 -1 -7 308.07 9.51
11 -1 -6 14.02 1.98
11 1 -6 16.20 1.97
11 -1 -6 16.06 1.66
11 1 -6 14.14 1.81
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11 -1 -5 12.46 0.80
11 -1 -5 18.31 1.52
11 -1 -5 16.72 1.93
11 -1 -4 100.06 3.33
11 1 -4 106.95 4.23
11 -1 -3 696.74 19.59
11 1 -3 681.00 18.72
11 -1 -3 646.54 18.82
11 1 -3 672.03 19.56
11 -1 -2 241.22 7.81
11 1 -2 227.22 7.05
11 -1 -2 228.20 7.16
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11 -1 -1 901.07 24.59
11 1 -1 832.45 23.89
11 -1 -1 821.78 23.98
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11 1 0 12.44 1.93
11 -1 0 9.22 1.96
11 1 0 15.36 1.71
11 -1 0 14.57 1.85
11 -1 0 12.37 1.37
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11 -1 1 129.68 4.79
11 1 1 124.36 4.47
11 -1 1 116.16 4.27
11 1 2 25.50 2.36
11 -1 2 23.06 1.86
11 -1 2 22.30 2.39
11 -1 2 26.86 2.50
11 1 2 28.56 2.06
11 1 2 28.09 2.46
11 -1 3 185.42 6.82
11 1 3 192.58 6.82
11 -1 3 185.86 6.94
11 1 3 193.03 6.51
11 -1 3 181.92 6.35
11 1 3 183.93 6.80
11 -1 4 72.51 3.59
11 1 4 83.48 4.67
11 -1 4 75.29 4.51
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11 -1 5 789.38 23.00
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11 1 6 146.34 7.09
11 -1 6 130.98 5.78
11 1 6 137.63 5.76
11 -1 6 130.90 5.66
11 -1 7 248.77 8.87
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11 -1 7 251.03 8.88
11 1 7 253.62 8.99
11 1 8 18.51 2.91
11 -1 8 17.32 2.84
11 -1 8 16.30 6.08
11 1 8 13.10 2.62
11 -1 8 12.92 2.43
11 -1 9 0.83 2.46
11 1 9 2.78 2.61
11 -1 9 4.95 2.58
11 1 9 5.00 6.55
11 -1 9 4.81 6.65
11 1 9 4.29 2.35
11 1 10 10.54 3.28
11 -1 10 11.51 3.21
11 -1 10 12.13 7.53
11 1 10 11.40 2.72
11 1 11 142.79 6.93
11 -1 11 152.84 7.01
11 -1 11 137.10 10.21
11 -1 11 132.88 5.93
11 1 11 122.03 5.77
11 3 -13 21.71 4.43
11 3 -13 22.15 4.98
11 3 -12 20.52 4.74
11 3 -12 20.27 3.93
11 -3 -12 13.23 3.29
11 -3 -12 9.64 2.90
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11 3 -11 53.31 4.06
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11 -3 -11 41.17 3.28
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11 -3 -10 59.76 3.96
11 -3 -10 59.45 3.31
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11 3 -9 12.32 3.98
11 -3 -9 16.93 1.76
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11 3 -9 19.59 2.84
11 -3 -9 14.40 2.08
11 3 -8 95.41 4.57
11 3 -8 96.53 4.03
11 -3 -8 103.87 4.01
11 3 -7 33.23 2.47
11 3 -7 32.31 2.75
11 -3 -7 30.57 2.05
11 -3 -6 119.15 4.53
11 -3 -6 113.36 3.93
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11 3 -6 112.26 4.52
11 3 -5 208.10 6.84
11 -3 -5 194.68 5.98
11 -3 -5 191.72 6.66
11 -3 -4 123.78 4.84
11 -3 -4 118.02 3.86
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11 -3 -3 462.46 13.95
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11 3 -2 560.30 16.87
11 -3 -2 577.11 16.93
11 -3 -2 569.56 15.84
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11 -3 4 430.89 12.85
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11 -3 8 0.88 2.74
11 -3 8 7.79 2.50
11 3 8 7.19 2.49
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11 3 9 65.05 4.34
11 -3 9 55.04 7.23
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11 3 10 14.58 3.48
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11 -5 5 29.84 3.10
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18 0 6 -0.81 4.17
18 0 7 1.33 3.66
18 2 -8 0.68 3.10
18 -2 -7 19.88 3.44
18 2 -7 22.79 3.50
18 2 -6 27.23 2.84
18 2 -6 22.03 3.69
18 -2 -6 31.32 3.83
18 2 -5 58.78 4.55
18 -2 -5 54.92 4.33
18 -2 -4 62.02 2.93
18 -2 -4 68.25 2.94
18 2 -4 73.59 4.88
18 -2 -4 78.18 3.42
18 -2 -4 76.60 5.10
18 2 -3 53.32 4.44
18 -2 -3 51.19 2.72
18 -2 -3 55.16 3.24
18 -2 -3 61.45 4.61
18 2 -2 51.40 3.27
18 -2 -2 42.91 2.60
18 2 -2 56.50 4.56
18 -2 -2 47.05 3.31
18 -2 -2 39.93 4.30
18 2 -1 15.62 2.49
18 2 -1 18.72 3.63
18 -2 -1 15.02 2.90
18 -2 -1 15.48 3.55
18 -2 -1 19.87 2.11
18 -2 0 29.57 3.45
18 2 0 34.03 4.03
18 -2 0 32.25 3.94
18 -2 0 37.35 2.60
18 2 0 32.91 2.97
18 -2 1 38.63 3.93
18 -2 1 45.41 2.97
18 -2 1 48.14 4.37
18 2 1 43.07 3.47
18 -2 2 74.35 5.15
18 2 2 71.86 4.23
18 -2 2 79.58 4.01
18 -2 3 45.98 3.54
18 -2 3 53.09 4.66
18 -2 3 44.11 5.18
18 2 3 51.02 3.79
18 2 3 51.08 4.61
18 -2 4 49.06 6.11
18 -2 4 51.56 4.74
18 -2 4 48.61 3.81
18 2 4 48.20 4.75
18 2 4 51.34 3.99
18 -2 5 14.77 6.16
18 2 5 29.84 4.33
18 2 5 24.17 3.70
18 -2 5 23.49 3.41
18 -2 5 25.12 4.12
18 2 6 31.89 4.47
18 -2 6 40.83 3.96
18 2 6 34.73 4.34
18 2 7 14.52 4.18
18 -2 7 31.95 4.04
18 4 -8 62.96 4.60
18 4 -7 2.56 3.16
18 4 -7 3.32 2.76
18 4 -6 28.49 3.77
18 -4 -5 9.69 3.38
18 4 -5 11.07 3.47
18 -4 -4 8.86 2.11
18 4 -4 8.57 3.25
18 -4 -4 3.56 3.41
18 -4 -3 12.83 0.90
18 4 -3 15.78 3.65
18 -4 -3 20.70 2.62
18 -4 -3 12.31 3.48
18 -4 -2 169.23 6.25
18 -4 -2 165.06 7.18
18 4 -2 177.74 7.43
18 -4 -1 -1.26 2.90
18 4 -1 0.72 3.35
18 -4 -1 1.36 1.43
18 4 -1 4.13 2.54
18 -4 -1 1.67 3.35
18 -4 0 92.56 3.83
18 -4 0 100.80 5.63
18 -4 0 99.50 5.19
18 4 0 105.55 5.94
18 4 0 96.41 4.89
18 -4 1 9.61 1.95
18 -4 1 9.76 3.41
18 4 1 7.84 2.68
18 -4 1 6.85 3.43
18 -4 2 2.90 1.98
18 -4 2 3.32 3.85
18 4 2 3.82 2.76
18 -4 3 26.02 2.76
18 4 3 22.32 3.96
18 -4 3 17.82 3.79
18 4 3 23.10 3.34
18 -4 3 29.02 5.11
18 4 4 97.16 5.22
18 -4 4 85.38 5.78
18 4 4 88.56 5.83
18 -4 4 84.97 4.54
18 -4 4 87.19 6.86
18 -4 5 13.67 6.44
18 4 5 4.92 3.81
18 -4 5 12.46 4.08
18 -4 5 3.48 3.04
18 4 5 1.68 3.51
18 -4 6 157.81 6.86
18 4 6 160.18 7.53
18 -4 7 6.64 3.55
18 6 -7 35.65 4.15
18 6 -7 34.06 3.68
18 6 -6 12.49 3.60
18 6 -5 5.73 3.11
18 6 -4 3.83 3.36
18 -6 -4 6.77 2.35
18 6 -3 27.95 4.03
18 -6 -3 26.58 3.00
18 -6 -2 89.67 5.51
18 -6 -2 81.90 4.58
18 -6 -1 118.29 6.19
18 -6 -1 108.39 5.51
18 6 -1 108.17 6.18
18 -6 0 48.55 4.30
18 6 0 48.10 4.58
18 -6 0 61.72 4.84
18 6 0 46.77 3.84
18 -6 1 40.18 4.43
18 -6 1 32.69 2.23
18 -6 1 40.26 4.25
18 6 1 37.50 3.57
18 6 2 1.98 2.82
18 -6 2 3.82 4.46
18 -6 2 3.35 1.86
18 -6 3 8.61 5.15
18 6 3 6.35 3.23
18 6 3 3.26 3.32
18 -6 3 5.36 2.12
18 6 4 68.16 4.77
18 6 4 69.25 5.36
18 -6 4 63.30 3.89
18 -6 4 68.44 7.19
18 6 5 104.46 5.83
18 6 5 95.58 6.11
18 -6 5 83.02 4.84
18 -6 5 96.97 8.20
18 6 6 100.87 6.12
18 8 -7 46.48 4.48
18 -8 -7 43.85 4.45
18 8 -6 19.58 3.85
18 -8 -6 20.94 3.97
18 8 -5 6.52 3.56
18 -8 -4 49.10 3.68
18 8 -4 57.01 4.77
18 8 -3 43.21 4.41
18 -8 -3 45.96 3.77
18 8 -2 4.85 3.51
18 -8 -2 7.01 3.14
18 -8 -1 131.83 6.35
18 8 -1 137.36 6.88
18 8 0 18.43 3.89
18 -8 0 17.68 3.93
18 8 0 23.78 3.42
18 -8 1 18.87 4.42
18 8 1 16.65 3.44
18 -8 2 36.91 5.50
18 8 2 35.33 3.86
18 8 3 18.77 3.71
18 -8 3 19.52 5.72
18 8 3 19.87 3.87
18 8 4 41.15 4.56
18 -8 4 46.34 7.24
18 8 4 41.04 4.68
18 8 5 110.70 6.29
18 10 -7 6.02 3.51
18 10 -6 16.01 4.05
18 -10 -6 18.24 3.90
18 -10 -5 44.40 4.66
18 10 -5 47.51 4.72
18 -10 -4 64.68 5.24
18 10 -4 61.62 5.11
18 10 -3 55.48 5.03
18 10 -2 22.77 4.10
18 10 -1 2.93 3.52
18 -10 0 35.02 4.62
18 10 0 27.83 4.30
18 -10 1 38.19 5.31
18 10 1 39.58 4.21
18 -10 2 38.14 6.11
18 10 2 23.91 4.04
18 -10 3 63.23 7.17
18 10 3 51.96 4.84
18 10 4 35.05 4.61
18 -12 -6 2.24 3.75
18 -12 -5 61.60 5.31
18 -12 -4 5.64 3.89
18 12 -3 76.70 5.53
18 -12 -3 67.99 5.56
18 12 -2 2.64 8.25
18 12 -2 0.15 3.68
18 -12 -2 -0.63 4.04
-18 12 2 4.53 8.45
18 -12 -1 -5.38 4.31
-18 12 1 -2.32 8.68
18 12 1 37.54 4.60
18 -12 2 -1.21 6.31
18 12 2 0.59 3.83
18 14 0 13.42 8.64
18 14 1 10.34 8.40
18 14 2 19.84 8.87
19 1 -7 -0.51 3.49
19 -1 -7 -2.10 3.34
19 1 -6 19.26 3.92
19 -1 -6 16.00 3.61
19 1 -5 135.00 6.83
19 -1 -5 130.51 6.63
19 1 -4 26.00 2.80
19 1 -4 21.73 4.21
19 -1 -4 27.04 4.33
19 1 -3 146.61 6.98
19 -1 -3 134.98 6.92
19 1 -3 132.28 5.38
19 -1 -2 17.10 2.67
19 1 -2 12.74 3.77
19 1 -2 15.25 2.50
19 -1 -2 11.99 3.71
19 -1 -2 7.88 2.11
19 -1 -1 3.10 2.66
19 1 -1 8.68 3.57
19 -1 -1 6.06 3.52
19 1 -1 6.80 2.30
19 -1 -1 3.15 2.07
19 -1 0 2.31 2.92
19 1 0 3.82 3.42
19 -1 0 5.88 3.44
19 1 0 6.75 2.35
19 -1 0 4.17 2.17
19 1 1 31.08 3.83
19 -1 1 35.48 3.98
19 1 1 32.53 4.28
19 -1 1 40.91 4.43
19 1 1 30.13 3.10
19 -1 1 33.00 2.96
19 -1 2 18.63 2.92
19 1 2 23.06 4.12
19 -1 2 24.74 4.45
19 1 2 21.92 3.19
19 1 3 172.41 8.25
19 1 3 173.11 8.23
19 -1 3 187.48 8.60
19 -1 3 177.28 8.32
19 1 3 167.94 7.05
19 -1 3 171.86 6.95
19 1 4 21.85 3.55
19 -1 4 9.29 3.36
19 1 4 30.33 5.71
19 -1 4 23.19 5.90
19 1 5 36.45 4.14
19 -1 5 36.49 3.94
19 1 6 7.80 3.50
19 -1 6 3.06 3.38
19 3 -7 47.17 4.45
19 -3 -6 13.34 3.67
19 3 -6 16.51 3.76
19 -3 -5 14.46 3.89
19 3 -5 13.62 4.04
19 3 -4 76.18 5.43
19 -3 -4 75.66 5.31
19 -3 -3 42.78 3.17
19 3 -3 34.10 4.41
19 -3 -3 41.27 4.47
19 -3 -2 21.64 2.99
19 3 -2 26.52 4.15
19 3 -2 24.28 2.98
19 -3 -2 19.11 3.90
19 -3 -1 44.34 3.74
19 3 -1 47.72 3.60
19 -3 -1 47.99 4.64
19 -3 0 9.10 1.99
19 -3 0 6.00 3.20
19 3 0 10.76 3.64
19 3 0 6.39 2.72
19 -3 0 10.14 3.49
19 -3 1 62.89 4.70
19 3 1 58.43 5.01
19 -3 1 64.87 5.00
19 3 1 55.81 3.98
19 -3 1 56.77 3.33
19 -3 2 55.41 5.03
19 3 2 52.39 4.06
19 -3 2 51.91 3.38
19 -3 3 35.23 3.31
19 -3 3 37.38 5.49
19 3 3 28.04 4.53
19 3 3 34.57 3.72
19 -3 3 27.40 4.42
19 -3 4 57.49 4.12
19 -3 4 67.23 7.00
19 3 4 57.65 4.65
19 3 5 85.61 5.48
19 3 6 11.77 3.83
19 5 -7 47.00 4.58
19 5 -6 8.70 3.75
19 5 -5 9.70 3.70
19 5 -4 -3.61 3.88
19 -5 -3 36.61 4.47
19 5 -3 36.18 4.38
19 -5 -3 35.60 3.26
19 -5 -2 11.89 3.87
19 5 -2 7.39 3.65
19 -5 -2 9.19 2.87
19 -5 -1 96.00 5.17
19 5 -1 89.98 5.07
19 5 -1 96.70 6.01
19 -5 0 33.12 4.25
19 5 0 23.64 4.08
19 -5 0 25.31 3.86
19 5 0 21.65 3.28
19 -5 1 33.80 4.46
19 -5 1 36.90 4.39
19 5 1 33.13 3.58
19 -5 2 11.25 4.52
19 5 2 7.79 3.12
19 -5 3 2.23 5.19
19 5 3 1.96 3.04
19 -5 4 18.48 6.39
19 5 4 23.39 3.82
19 5 5 112.48 6.40
19 7 -7 7.87 3.78
19 7 -6 48.56 4.76
19 7 -5 12.64 3.87
19 7 -4 2.07 3.62
19 7 -3 20.02 4.21
19 -7 -3 17.67 3.09
19 -7 -2 87.46 4.95
19 7 -2 88.54 5.81
19 7 -1 8.59 3.73
19 -7 -1 8.70 3.45
19 7 -1 13.00 3.37
19 -7 0 77.93 5.27
19 7 0 73.72 4.76
19 7 0 76.60 5.57
19 -7 1 8.76 4.30
19 7 1 12.54 3.20
19 -7 2 10.16 5.00
19 7 2 9.74 3.38
19 -7 3 27.92 6.31
19 7 3 25.84 3.88
19 7 4 29.23 4.13
19 9 -6 12.47 4.13
19 -9 -6 15.81 4.13
19 9 -5 43.66 4.88
19 -9 -5 44.14 4.83
19 9 -4 10.42 4.15
19 -9 -3 61.56 4.42
19 9 -3 66.88 5.44
19 9 -2 37.87 4.62
19 -9 -2 34.52 4.14
19 9 -1 9.67 3.81
19 -9 -1 6.65 3.59
19 -9 0 35.75 4.70
19 9 0 23.30 3.83
19 -9 1 24.23 5.05
19 9 1 18.53 3.81
19 -9 2 16.80 5.71
19 9 2 12.05 3.85
19 9 3 81.60 5.69
19 -11 -2 27.61 4.26
19 -11 -1 5.45 3.91
19 -11 0 3.85 4.72
19 11 0 -3.97 3.85
19 -11 1 10.76 5.45
19 11 1 3.00 3.89
20 0 -6 21.83 4.25
20 0 -5 1.02 4.07
20 0 -4 181.53 8.36
20 0 -3 0.62 4.00
20 0 -2 68.22 5.40
20 0 -1 -0.48 3.70
20 0 0 5.07 3.00
20 0 0 6.56 3.79
20 0 1 2.91 3.47
20 0 2 122.80 6.68
20 0 3 7.88 5.11
20 -2 -6 26.00 4.39
20 2 -6 21.78 4.45
20 2 -5 36.24 4.62
20 -2 -5 42.45 4.82
20 2 -4 67.75 5.42
20 -2 -4 70.75 5.51
20 2 -3 46.49 4.85
20 -2 -3 42.53 4.69
20 2 -2 32.83 4.37
20 -2 -2 28.32 4.28
20 -2 -1 13.49 3.07
20 2 -1 17.25 3.98
20 2 -1 14.81 2.80
20 -2 -1 18.30 3.99
20 -2 0 5.03 3.22
20 2 0 6.19 3.83
20 2 0 10.68 2.75
20 -2 0 5.36 3.77
20 -2 1 31.57 4.26
20 2 1 34.98 3.51
20 -2 2 45.63 5.34
20 2 2 54.69 4.17
20 -2 3 64.97 6.34
20 2 3 57.01 4.60
20 2 5 25.38 4.02
20 4 -6 82.79 5.76
20 4 -5 5.73 3.98
20 -4 -4 -0.90 4.22
20 4 -4 -1.66 4.05
20 -4 -3 41.54 4.75
20 4 -3 43.54 4.70
20 4 -2 17.64 4.09
20 4 -2 23.46 3.24
20 -4 -1 3.51 3.71
20 4 -1 4.08 3.70
20 -4 -1 -2.51 3.19
20 4 -1 2.60 2.90
20 -4 0 80.00 5.01
20 4 0 75.21 4.71
20 -4 1 14.61 3.98
20 4 1 10.87 3.25
20 -4 2 46.36 5.33
20 4 2 43.50 4.09
20 -4 3 36.38 5.84
20 4 3 30.76 3.92
20 4 4 20.25 4.02
20 6 -2 32.51 3.76
20 -6 -1 33.34 3.89
20 6 -1 30.70 3.71
20 -6 0 24.08 4.11
20 6 0 19.00 3.56
20 -6 1 37.62 4.83
20 6 1 33.05 3.91
20 -6 2 18.20 5.21
20 6 2 19.09 3.69
20 6 3 3.41 3.49
20 6 4 10.50 3.80
20 -8 -1 26.24 4.18
20 8 -1 30.42 4.00
20 -8 0 4.18 4.05
20 8 0 0.77 3.33
20 -8 1 43.62 5.60
20 8 1 44.02 4.39
20 8 2 28.94 4.25
20 -10 -1 5.71 3.96
20 10 -1 7.29 3.70
20 -10 0 0.55 4.55
20 10 0 -1.38 3.74
21 -1 1 4.13 3.79
21 -1 2 22.42 4.82
21 -3 1 65.13 5.48
21 -3 2 30.04 5.35
21 -5 0 18.69 3.91
21 -5 1 78.31 5.81
21 -7 1 20.66 5.09
21 7 1 14.37 3.88
0 0 0 0.00 0.00
_computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)'
;
_shelx_hkl_checksum 24729
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 +X,-Y,1/2+Z
3 1/2+X,1/2+Y,+Z
4 1/2+X,1/2-Y,1/2+Z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.56216(3) 0.14377(2) 0.93923(3) 0.03374(9) Uani 1 1 d . . . . .
Rh2 Rh 0.48741(2) 0.23220(2) 1.08785(3) 0.03585(10) Uani 1 1 d . . . . .
S1 S 0.68931(11) 0.15392(10) 1.06790(16) 0.0558(4) Uani 1 1 d . . . . .
S2 S 0.61843(11) 0.23555(10) 1.20873(15) 0.0557(4) Uani 1 1 d . . . . .
O1 O 0.7107(4) 0.0953(3) 1.1447(6) 0.0752(16) Uani 1 1 d . . . . .
O2 O 0.7624(4) 0.1865(4) 1.0132(8) 0.0785(19) Uani 0.87 1 d . . P . .
O3 O 0.6154(4) 0.2018(4) 1.3294(5) 0.0774(17) Uani 1 1 d . . . . .
O4 O 0.6666(5) 0.2987(4) 1.2041(7) 0.083(2) Uani 0.88 1 d . . P . .
O6 O 0.7008(15) 0.2196(15) 1.139(2) 0.082(8) Uani 0.25 1 d . . P . .
O7 O 0.2465(6) -0.0333(6) 0.8914(10) 0.141(4) Uani 1 1 d . . . . .
O8 O 0.5044(5) 0.5475(4) 1.1686(8) 0.097(2) Uani 1 1 d . . . . .
C1 C 0.4682(4) 0.0800(3) 0.8128(5) 0.0456(12) Uani 1 1 d . . . . .
C2 C 0.5364(5) 0.0374(3) 0.8652(6) 0.0536(15) Uani 1 1 d . . . . .
C3 C 0.6193(6) 0.0602(5) 0.8263(8) 0.072(2) Uani 1 1 d . . . . .
C4 C 0.6016(6) 0.1182(5) 0.7452(7) 0.072(2) Uani 1 1 d . . . . .
C5 C 0.5103(6) 0.1299(3) 0.7353(5) 0.0598(19) Uani 1 1 d . . . . .
C6 C 0.3715(5) 0.0713(5) 0.8247(9) 0.076(3) Uani 1 1 d . . . . .
H6A H 0.3421 0.1148 0.8064 0.091 Uiso 1 1 calc R U . . .
H6B H 0.3614 0.0592 0.9115 0.091 Uiso 1 1 calc R U . . .
C7 C 0.5221(9) -0.0253(4) 0.9446(10) 0.093(3) Uani 1 1 d . . . . .
H7A H 0.5107 -0.0642 0.8904 0.112 Uiso 1 1 calc R U . . .
H7B H 0.4722 -0.0179 0.9950 0.112 Uiso 1 1 calc R U . . .
H7C H 0.5743 -0.0337 0.9991 0.112 Uiso 1 1 calc R U . . .
C8 C 0.7054(8) 0.0269(9) 0.8517(14) 0.144(7) Uani 1 1 d . . . . .
H8A H 0.7261 0.0093 0.7740 0.173 Uiso 1 1 calc R U . . .
H8B H 0.6994 -0.0102 0.9102 0.173 Uiso 1 1 calc R U . . .
H8C H 0.7474 0.0597 0.8874 0.173 Uiso 1 1 calc R U . . .
C9 C 0.6708(12) 0.1544(9) 0.6742(12) 0.169(9) Uani 1 1 d . . . . .
H9A H 0.6492 0.1989 0.6484 0.202 Uiso 1 1 calc R U . . .
H9B H 0.6833 0.1281 0.6008 0.202 Uiso 1 1 calc R U . . .
H9C H 0.7241 0.1594 0.7279 0.202 Uiso 1 1 calc R U . . .
C10 C 0.4634(12) 0.1801(5) 0.6524(9) 0.127(6) Uani 1 1 d . . . . .
H10A H 0.4636 0.1649 0.5661 0.153 Uiso 1 1 calc R U . . .
H10B H 0.4926 0.2238 0.6609 0.153 Uiso 1 1 calc R U . . .
H10C H 0.4032 0.1845 0.6758 0.153 Uiso 1 1 calc R U . . .
C11 C 0.3297(6) 0.0164(6) 0.7367(9) 0.082(3) Uani 1 1 d . . . . .
H11A H 0.3259 0.0335 0.6505 0.098 Uiso 1 1 calc R U . . .
H11B H 0.3673 -0.0240 0.7396 0.098 Uiso 1 1 calc R U . . .
C12 C 0.2393(7) -0.0027(10) 0.7736(14) 0.131(6) Uani 1 1 d . . . . .
H12A H 0.2024 0.0380 0.7762 0.157 Uiso 1 1 calc R U . . .
H12B H 0.2118 -0.0341 0.7119 0.157 Uiso 1 1 calc R U . . .
C13 C 0.1684(12) -0.0495(17) 0.9430(17) 0.239(16) Uani 1 1 d . . . . .
H13A H 0.1331 -0.0778 0.8849 0.287 Uiso 1 1 calc R U . . .
H13B H 0.1365 -0.0082 0.9594 0.287 Uiso 1 1 calc R U . . .
H13C H 0.1807 -0.0740 1.0208 0.287 Uiso 1 1 calc R U . . .
C14 C 0.4225(4) 0.3346(3) 1.1003(6) 0.0508(14) Uani 1 1 d . . . . .
C15 C 0.4205(4) 0.2999(4) 1.2212(6) 0.0485(14) Uani 1 1 d . . . . .
C16 C 0.3672(4) 0.2397(4) 1.2036(6) 0.0498(14) Uani 1 1 d . . . . .
C17 C 0.3348(4) 0.2378(3) 1.0749(6) 0.0489(13) Uani 1 1 d . . . . .
C18 C 0.3680(4) 0.2956(4) 1.0103(6) 0.0504(14) Uani 1 1 d . . . . .
C19 C 0.4627(5) 0.4025(4) 1.0799(11) 0.072(2) Uani 1 1 d . . . . .
H19A H 0.4774 0.4064 0.9922 0.086 Uiso 1 1 calc R U . . .
H19B H 0.5174 0.4066 1.1327 0.086 Uiso 1 1 calc R U . . .
C20 C 0.4594(6) 0.3251(5) 1.3455(7) 0.072(2) Uani 1 1 d . . . . .
H20A H 0.4970 0.2903 1.3842 0.086 Uiso 1 1 calc R U . . .
H20B H 0.4125 0.3356 1.3997 0.086 Uiso 1 1 calc R U . . .
H20C H 0.4938 0.3657 1.3327 0.086 Uiso 1 1 calc R U . . .
C21 C 0.3408(7) 0.1932(5) 1.3074(8) 0.077(2) Uani 1 1 d . . . . .
H21A H 0.3156 0.1518 1.2714 0.092 Uiso 1 1 calc R U . . .
H21B H 0.2978 0.2159 1.3558 0.092 Uiso 1 1 calc R U . . .
H21C H 0.3923 0.1821 1.3616 0.092 Uiso 1 1 calc R U . . .
C22 C 0.2679(5) 0.1874(5) 1.0209(10) 0.073(2) Uani 1 1 d . . . . .
H22A H 0.2113 0.1963 1.0546 0.088 Uiso 1 1 calc R U . . .
H22B H 0.2867 0.1417 1.0431 0.088 Uiso 1 1 calc R U . . .
H22C H 0.2625 0.1919 0.9304 0.088 Uiso 1 1 calc R U . . .
C23 C 0.3444(6) 0.3149(6) 0.8767(8) 0.084(3) Uani 1 1 d . . . . .
H23A H 0.2843 0.3315 0.8690 0.100 Uiso 1 1 calc R U . . .
H23B H 0.3496 0.2754 0.8234 0.100 Uiso 1 1 calc R U . . .
H23C H 0.3839 0.3502 0.8511 0.100 Uiso 1 1 calc R U . . .
C24 C 0.3989(6) 0.4619(5) 1.1116(13) 0.093(3) Uani 1 1 d . . . . .
H24A H 0.3422 0.4553 1.0646 0.111 Uiso 1 1 calc R U . . .
H24B H 0.3886 0.4604 1.2011 0.111 Uiso 1 1 calc R U . . .
C25 C 0.4353(8) 0.5308(5) 1.0801(14) 0.099(3) Uani 1 1 d . . . . .
H25A H 0.4571 0.5299 0.9958 0.119 Uiso 1 1 calc R U . . .
H25B H 0.3888 0.5651 1.0814 0.119 Uiso 1 1 calc R U . . .
C26 C 0.5358(10) 0.6112(6) 1.1455(12) 0.106(4) Uani 1 1 d . . . . .
H26A H 0.4873 0.6432 1.1397 0.127 Uiso 1 1 calc R U . . .
H26B H 0.5647 0.6109 1.0672 0.127 Uiso 1 1 calc R U . . .
H26C H 0.5776 0.6245 1.2132 0.127 Uiso 1 1 calc R U . . .
C27 C 0.5000(4) 0.1283(3) 1.1039(5) 0.0413(12) Uani 1 1 d . . . . .
H27A H 0.4448 0.1027 1.0948 0.050 Uiso 1 1 calc R U . . .
H27B H 0.5382 0.1125 1.1751 0.050 Uiso 1 1 calc R U . . .
C28 C 0.5640(5) 0.2488(3) 0.9374(7) 0.0419(10) Uani 1 1 d . . . . .
H28A H 0.5335 0.2700 0.8640 0.050 Uiso 1 1 calc R U . . .
H28B H 0.6216 0.2695 0.9585 0.050 Uiso 1 1 calc R U . . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Rh1 0.03185(17) 0.03953(19) 0.02981(16) 0.00115(15) 0.00174(12) -0.00431(17)
Rh2 0.02948(17) 0.0467(2) 0.03064(16) -0.00170(15) -0.00408(12) 0.00235(17)
S1 0.0385(8) 0.0686(10) 0.0582(9) 0.0054(7) -0.0129(7) -0.0015(7)
S2 0.0389(7) 0.0768(11) 0.0489(8) -0.0078(7) -0.0174(6) 0.0032(7)
O1 0.063(3) 0.084(4) 0.076(3) 0.008(3) -0.010(3) 0.024(3)
O2 0.039(3) 0.098(5) 0.098(5) 0.006(4) -0.003(3) -0.012(3)
O3 0.073(4) 0.104(5) 0.051(3) -0.005(3) -0.023(2) 0.016(3)
O4 0.069(4) 0.090(5) 0.085(4) -0.019(4) -0.023(4) -0.016(4)
O6 0.045(12) 0.12(2) 0.081(15) -0.023(14) -0.023(11) 0.012(12)
O7 0.096(6) 0.193(11) 0.139(8) -0.048(7) 0.046(6) -0.071(7)
O8 0.093(5) 0.073(4) 0.124(6) 0.019(4) -0.013(4) -0.003(4)
C1 0.040(3) 0.049(3) 0.047(3) -0.012(2) 0.003(2) -0.008(2)
C2 0.073(5) 0.044(3) 0.045(3) -0.006(2) 0.005(3) 0.004(3)
C3 0.054(4) 0.096(6) 0.065(4) -0.037(4) -0.004(3) 0.005(4)
C4 0.078(5) 0.092(6) 0.048(3) -0.021(4) 0.023(3) -0.047(5)
C5 0.098(6) 0.046(3) 0.033(3) -0.002(2) -0.012(3) -0.004(3)
C6 0.038(3) 0.094(6) 0.096(6) -0.049(5) 0.014(3) -0.021(4)
C7 0.153(11) 0.044(4) 0.084(6) 0.014(4) 0.014(6) 0.007(5)
C8 0.069(6) 0.202(16) 0.159(12) -0.113(12) -0.016(7) 0.051(9)
C9 0.212(17) 0.213(16) 0.093(8) -0.068(9) 0.101(10) -0.157(15)
C10 0.244(17) 0.066(6) 0.063(5) 0.005(4) -0.061(8) 0.003(8)
C11 0.053(4) 0.105(7) 0.088(5) -0.041(5) 0.008(4) -0.026(5)
C12 0.056(5) 0.202(16) 0.137(10) -0.094(11) 0.019(6) -0.050(8)
C13 0.113(13) 0.46(5) 0.151(15) -0.11(2) 0.055(11) -0.14(2)
C14 0.034(3) 0.052(3) 0.066(4) 0.011(3) -0.001(2) 0.005(3)
C15 0.036(3) 0.063(4) 0.046(3) -0.005(3) 0.000(2) 0.007(3)
C16 0.046(3) 0.058(4) 0.047(3) -0.004(2) 0.013(2) 0.010(3)
C17 0.030(3) 0.062(4) 0.055(3) -0.009(3) 0.004(2) 0.007(2)
C18 0.030(3) 0.072(4) 0.048(3) 0.004(3) -0.005(2) 0.012(3)
C19 0.037(3) 0.057(4) 0.122(7) 0.017(4) 0.004(4) 0.002(3)
C20 0.075(5) 0.078(5) 0.063(4) -0.026(4) -0.006(4) 0.011(4)
C21 0.089(6) 0.072(5) 0.073(5) 0.011(4) 0.039(4) 0.016(5)
C22 0.035(3) 0.090(6) 0.096(6) -0.030(5) 0.005(3) 0.002(3)
C23 0.044(4) 0.142(9) 0.063(4) 0.036(5) -0.011(3) 0.015(5)
C24 0.048(4) 0.067(5) 0.165(10) 0.033(6) 0.019(5) 0.005(4)
C25 0.080(7) 0.062(5) 0.154(10) 0.027(6) -0.012(7) 0.021(5)
C26 0.135(11) 0.079(7) 0.101(7) 0.001(6) -0.018(7) 0.012(7)
C27 0.044(3) 0.050(3) 0.031(2) 0.003(2) 0.005(2) 0.003(2)
C28 0.039(3) 0.041(2) 0.046(3) 0.003(2) 0.004(2) -0.003(3)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
Rh Rh -1.1178 0.9187
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
S S 0.1246 0.1234
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C28 Rh1 C27 99.4(3) . . ?
C28 Rh1 C3 136.1(3) . . ?
C27 Rh1 C3 124.1(3) . . ?
C28 Rh1 C4 102.1(3) . . ?
C27 Rh1 C4 155.7(3) . . ?
C3 Rh1 C4 37.6(4) . . ?
C28 Rh1 C2 157.4(3) . . ?
C27 Rh1 C2 94.7(3) . . ?
C3 Rh1 C2 36.9(3) . . ?
C4 Rh1 C2 61.4(3) . . ?
C28 Rh1 C1 123.6(3) . . ?
C27 Rh1 C1 96.9(2) . . ?
C3 Rh1 C1 61.9(3) . . ?
C4 Rh1 C1 61.6(2) . . ?
C2 Rh1 C1 36.5(3) . . ?
C28 Rh1 C5 96.6(3) . . ?
C27 Rh1 C5 130.0(3) . . ?
C3 Rh1 C5 61.5(3) . . ?
C4 Rh1 C5 36.1(3) . . ?
C2 Rh1 C5 61.0(2) . . ?
C1 Rh1 C5 37.2(3) . . ?
C28 Rh1 S1 84.7(2) . . ?
C27 Rh1 S1 85.28(18) . . ?
C3 Rh1 S1 92.6(2) . . ?
C4 Rh1 S1 107.8(2) . . ?
C2 Rh1 S1 114.1(2) . . ?
C1 Rh1 S1 150.52(17) . . ?
C5 Rh1 S1 143.4(2) . . ?
C28 Rh1 Rh2 50.1(2) . . ?
C27 Rh1 Rh2 49.73(18) . . ?
C3 Rh1 Rh2 173.8(3) . . ?
C4 Rh1 Rh2 147.7(3) . . ?
C2 Rh1 Rh2 137.9(2) . . ?
C1 Rh1 Rh2 115.95(16) . . ?
C5 Rh1 Rh2 120.8(2) . . ?
S1 Rh1 Rh2 87.82(5) . . ?
C27 Rh2 C28 99.6(3) . . ?
C27 Rh2 C15 125.5(3) . . ?
C28 Rh2 C15 134.5(3) . . ?
C27 Rh2 C14 157.3(3) . . ?
C28 Rh2 C14 100.1(3) . . ?
C15 Rh2 C14 38.0(2) . . ?
C27 Rh2 C16 95.3(3) . . ?
C28 Rh2 C16 157.3(3) . . ?
C15 Rh2 C16 37.2(3) . . ?
C14 Rh2 C16 62.6(2) . . ?
C27 Rh2 S2 84.79(18) . . ?
C28 Rh2 S2 85.5(2) . . ?
C15 Rh2 S2 92.23(16) . . ?
C14 Rh2 S2 107.96(17) . . ?
C16 Rh2 S2 112.95(18) . . ?
C27 Rh2 C18 129.2(3) . . ?
C28 Rh2 C18 96.1(3) . . ?
C15 Rh2 C18 61.9(2) . . ?
C14 Rh2 C18 37.0(2) . . ?
C16 Rh2 C18 61.3(2) . . ?
S2 Rh2 C18 144.73(19) . . ?
C27 Rh2 C17 98.0(3) . . ?
C28 Rh2 C17 123.8(3) . . ?
C15 Rh2 C17 61.1(2) . . ?
C14 Rh2 C17 61.3(2) . . ?
C16 Rh2 C17 36.3(2) . . ?
S2 Rh2 C17 149.15(17) . . ?
C18 Rh2 C17 36.1(3) . . ?
C27 Rh2 Rh1 50.15(17) . . ?
C28 Rh2 Rh1 49.92(17) . . ?
C15 Rh2 Rh1 175.58(19) . . ?
C14 Rh2 Rh1 145.74(18) . . ?
C16 Rh2 Rh1 139.08(18) . . ?
S2 Rh2 Rh1 88.03(5) . . ?
C18 Rh2 Rh1 119.66(16) . . ?
C17 Rh2 Rh1 117.38(16) . . ?
O2 S1 O1 115.7(5) . . ?
O2 S1 O6 75.7(12) . . ?
O1 S1 O6 112.7(11) . . ?
O2 S1 Rh1 115.9(3) . . ?
O1 S1 Rh1 114.9(3) . . ?
O6 S1 Rh1 116.2(8) . . ?
O2 S1 S2 109.5(4) . . ?
O1 S1 S2 105.2(3) . . ?
O6 S1 S2 35.2(11) . . ?
Rh1 S1 S2 92.10(7) . . ?
O4 S2 O3 117.9(4) . . ?
O4 S2 O6 74.2(12) . . ?
O3 S2 O6 114.3(11) . . ?
O4 S2 Rh2 115.4(3) . . ?
O3 S2 Rh2 114.1(3) . . ?
O6 S2 Rh2 115.2(8) . . ?
O4 S2 S1 107.0(4) . . ?
O3 S2 S1 106.3(3) . . ?
O6 S2 S1 34.4(10) . . ?
Rh2 S2 S1 92.03(6) . . ?
S1 O2 O6 53.7(10) . . ?
S2 O4 O6 55.2(10) . . ?
S1 O6 S2 110.5(17) . . ?
S1 O6 O4 156.0(15) . . ?
S2 O6 O4 50.7(9) . . ?
S1 O6 O2 50.6(9) . . ?
S2 O6 O2 156.3(14) . . ?
O4 O6 O2 141(2) . . ?
C13 O7 C12 116.1(15) . . ?
C26 O8 C25 110.3(8) . . ?
C2 C1 C5 106.6(6) . . ?
C2 C1 C6 126.6(7) . . ?
C5 C1 C6 126.6(7) . . ?
C2 C1 Rh1 71.1(3) . . ?
C5 C1 Rh1 71.6(3) . . ?
C6 C1 Rh1 126.6(4) . . ?
C1 C2 C3 109.7(7) . . ?
C1 C2 C7 124.9(8) . . ?
C3 C2 C7 125.3(8) . . ?
C1 C2 Rh1 72.5(3) . . ?
C3 C2 Rh1 71.0(4) . . ?
C7 C2 Rh1 125.6(5) . . ?
C2 C3 C4 106.7(7) . . ?
C2 C3 C8 126.9(12) . . ?
C4 C3 C8 126.1(11) . . ?
C2 C3 Rh1 72.1(4) . . ?
C4 C3 Rh1 71.4(5) . . ?
C8 C3 Rh1 126.5(6) . . ?
C5 C4 C3 108.7(6) . . ?
C5 C4 C9 126.9(12) . . ?
C3 C4 C9 124.2(13) . . ?
C5 C4 Rh1 73.3(4) . . ?
C3 C4 Rh1 71.1(4) . . ?
C9 C4 Rh1 126.2(6) . . ?
C4 C5 C1 108.3(6) . . ?
C4 C5 C10 126.3(10) . . ?
C1 C5 C10 125.2(10) . . ?
C4 C5 Rh1 70.6(4) . . ?
C1 C5 Rh1 71.2(3) . . ?
C10 C5 Rh1 128.0(5) . . ?
C1 C6 C11 113.5(6) . . ?
C1 C6 H6A 108.9 . . ?
C11 C6 H6A 108.9 . . ?
C1 C6 H6B 108.9 . . ?
C11 C6 H6B 108.9 . . ?
H6A C6 H6B 107.7 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C6 111.3(7) . . ?
C12 C11 H11A 109.4 . . ?
C6 C11 H11A 109.4 . . ?
C12 C11 H11B 109.4 . . ?
C6 C11 H11B 109.4 . . ?
H11A C11 H11B 108.0 . . ?
O7 C12 C11 108.9(11) . . ?
O7 C12 H12A 109.9 . . ?
C11 C12 H12A 109.9 . . ?
O7 C12 H12B 109.9 . . ?
C11 C12 H12B 109.9 . . ?
H12A C12 H12B 108.3 . . ?
O7 C13 H13A 109.5 . . ?
O7 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
O7 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C18 C14 C15 107.2(6) . . ?
C18 C14 C19 126.9(7) . . ?
C15 C14 C19 125.4(7) . . ?
C18 C14 Rh2 73.9(4) . . ?
C15 C14 Rh2 70.6(4) . . ?
C19 C14 Rh2 127.4(5) . . ?
C16 C15 C14 108.2(5) . . ?
C16 C15 C20 125.0(7) . . ?
C14 C15 C20 126.6(7) . . ?
C16 C15 Rh2 72.8(4) . . ?
C14 C15 Rh2 71.3(4) . . ?
C20 C15 Rh2 126.0(5) . . ?
C17 C16 C15 107.6(6) . . ?
C17 C16 C21 126.8(7) . . ?
C15 C16 C21 125.1(7) . . ?
C17 C16 Rh2 73.5(3) . . ?
C15 C16 Rh2 70.0(4) . . ?
C21 C16 Rh2 128.2(5) . . ?
C16 C17 C18 109.3(6) . . ?
C16 C17 C22 124.5(7) . . ?
C18 C17 C22 125.8(7) . . ?
C16 C17 Rh2 70.2(4) . . ?
C18 C17 Rh2 71.7(3) . . ?
C22 C17 Rh2 129.8(5) . . ?
C17 C18 C14 107.7(5) . . ?
C17 C18 C23 125.9(7) . . ?
C14 C18 C23 126.3(8) . . ?
C17 C18 Rh2 72.2(3) . . ?
C14 C18 Rh2 69.1(3) . . ?
C23 C18 Rh2 127.8(5) . . ?
C14 C19 C24 111.7(7) . . ?
C14 C19 H19A 109.3 . . ?
C24 C19 H19A 109.3 . . ?
C14 C19 H19B 109.3 . . ?
C24 C19 H19B 109.3 . . ?
H19A C19 H19B 107.9 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C18 C23 H23A 109.5 . . ?
C18 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C18 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C25 C24 C19 112.2(8) . . ?
C25 C24 H24A 109.2 . . ?
C19 C24 H24A 109.2 . . ?
C25 C24 H24B 109.2 . . ?
C19 C24 H24B 109.2 . . ?
H24A C24 H24B 107.9 . . ?
O8 C25 C24 109.2(9) . . ?
O8 C25 H25A 109.8 . . ?
C24 C25 H25A 109.8 . . ?
O8 C25 H25B 109.8 . . ?
C24 C25 H25B 109.8 . . ?
H25A C25 H25B 108.3 . . ?
O8 C26 H26A 109.5 . . ?
O8 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
O8 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Rh2 C27 Rh1 80.1(2) . . ?
Rh2 C27 H27A 115.2 . . ?
Rh1 C27 H27A 115.2 . . ?
Rh2 C27 H27B 115.2 . . ?
Rh1 C27 H27B 115.2 . . ?
H27A C27 H27B 112.3 . . ?
Rh1 C28 Rh2 80.0(2) . . ?
Rh1 C28 H28A 115.3 . . ?
Rh2 C28 H28A 115.3 . . ?
Rh1 C28 H28B 115.3 . . ?
Rh2 C28 H28B 115.3 . . ?
H28A C28 H28B 112.3 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 C28 2.046(6) . ?
Rh1 C27 2.052(6) . ?
Rh1 C3 2.226(8) . ?
Rh1 C4 2.230(7) . ?
Rh1 C2 2.241(6) . ?
Rh1 C1 2.259(5) . ?
Rh1 C5 2.265(6) . ?
Rh1 S1 2.2893(15) . ?
Rh1 Rh2 2.6338(5) . ?
Rh2 C27 2.040(6) . ?
Rh2 C28 2.051(8) . ?
Rh2 C15 2.220(6) . ?
Rh2 C14 2.229(7) . ?
Rh2 C16 2.256(6) . ?
Rh2 S2 2.2861(14) . ?
Rh2 C18 2.293(6) . ?
Rh2 C17 2.299(6) . ?
S1 O2 1.426(8) . ?
S1 O1 1.427(6) . ?
S1 O6 1.49(3) . ?
S1 S2 2.469(3) . ?
S2 O4 1.431(8) . ?
S2 O3 1.440(6) . ?
S2 O6 1.52(3) . ?
O2 O6 1.79(3) . ?
O4 O6 1.78(3) . ?
O7 C13 1.365(17) . ?
O7 C12 1.38(2) . ?
O8 C26 1.356(14) . ?
O8 C25 1.395(13) . ?
C1 C2 1.407(10) . ?
C1 C5 1.444(10) . ?
C1 C6 1.482(9) . ?
C2 C3 1.412(12) . ?
C2 C7 1.506(10) . ?
C3 C4 1.434(14) . ?
C3 C8 1.462(14) . ?
C4 C5 1.393(13) . ?
C4 C9 1.500(12) . ?
C5 C10 1.466(11) . ?
C6 C11 1.528(10) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.489(14) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 C18 1.436(9) . ?
C14 C15 1.450(9) . ?
C14 C19 1.477(11) . ?
C15 C16 1.427(10) . ?
C15 C20 1.490(9) . ?
C16 C17 1.419(9) . ?
C16 C21 1.497(10) . ?
C17 C18 1.424(10) . ?
C17 C22 1.496(11) . ?
C18 C23 1.485(9) . ?
C19 C24 1.556(13) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 C25 1.496(13) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 S1 O2 O6 -108.7(10) . . . . ?
Rh1 S1 O2 O6 112.5(9) . . . . ?
S2 S1 O2 O6 10.0(9) . . . . ?
O3 S2 O4 O6 109.5(10) . . . . ?
Rh2 S2 O4 O6 -110.8(9) . . . . ?
S1 S2 O4 O6 -10.1(9) . . . . ?
O2 S1 O6 S2 163.4(17) . . . . ?
O1 S1 O6 S2 -84.3(14) . . . . ?
Rh1 S1 O6 S2 51.3(19) . . . . ?
O2 S1 O6 O4 129(5) . . . . ?
O1 S1 O6 O4 -119(5) . . . . ?
Rh1 S1 O6 O4 17(6) . . . . ?
S2 S1 O6 O4 -34(4) . . . . ?
O1 S1 O6 O2 112.3(7) . . . . ?
Rh1 S1 O6 O2 -112.2(6) . . . . ?
S2 S1 O6 O2 -163.4(17) . . . . ?
O4 S2 O6 S1 -162.8(17) . . . . ?
O3 S2 O6 S1 83.4(14) . . . . ?
Rh2 S2 O6 S1 -51.8(19) . . . . ?
O3 S2 O6 O4 -113.9(7) . . . . ?
Rh2 S2 O6 O4 111.0(6) . . . . ?
S1 S2 O6 O4 162.8(17) . . . . ?
O4 S2 O6 O2 -129(5) . . . . ?
O3 S2 O6 O2 117(5) . . . . ?
Rh2 S2 O6 O2 -18(6) . . . . ?
S1 S2 O6 O2 33(4) . . . . ?
S2 O4 O6 S1 43(5) . . . . ?
S2 O4 O6 O2 150(2) . . . . ?
S1 O2 O6 S2 -42(5) . . . . ?
S1 O2 O6 O4 -150(2) . . . . ?
C5 C1 C2 C3 1.7(7) . . . . ?
C6 C1 C2 C3 176.4(6) . . . . ?
Rh1 C1 C2 C3 -61.6(5) . . . . ?
C5 C1 C2 C7 -175.1(7) . . . . ?
C6 C1 C2 C7 -0.4(11) . . . . ?
Rh1 C1 C2 C7 121.6(7) . . . . ?
C5 C1 C2 Rh1 63.3(4) . . . . ?
C6 C1 C2 Rh1 -122.0(6) . . . . ?
C1 C2 C3 C4 -1.0(8) . . . . ?
C7 C2 C3 C4 175.8(7) . . . . ?
Rh1 C2 C3 C4 -63.5(5) . . . . ?
C1 C2 C3 C8 -174.8(8) . . . . ?
C7 C2 C3 C8 2.0(13) . . . . ?
Rh1 C2 C3 C8 122.7(9) . . . . ?
C1 C2 C3 Rh1 62.5(4) . . . . ?
C7 C2 C3 Rh1 -120.7(7) . . . . ?
C2 C3 C4 C5 -0.2(8) . . . . ?
C8 C3 C4 C5 173.7(8) . . . . ?
Rh1 C3 C4 C5 -64.2(5) . . . . ?
C2 C3 C4 C9 -174.6(7) . . . . ?
C8 C3 C4 C9 -0.6(13) . . . . ?
Rh1 C3 C4 C9 121.5(8) . . . . ?
C2 C3 C4 Rh1 64.0(5) . . . . ?
C8 C3 C4 Rh1 -122.1(9) . . . . ?
C3 C4 C5 C1 1.2(7) . . . . ?
C9 C4 C5 C1 175.4(8) . . . . ?
Rh1 C4 C5 C1 -61.5(4) . . . . ?
C3 C4 C5 C10 -173.8(7) . . . . ?
C9 C4 C5 C10 0.4(13) . . . . ?
Rh1 C4 C5 C10 123.5(7) . . . . ?
C3 C4 C5 Rh1 62.7(5) . . . . ?
C9 C4 C5 Rh1 -123.1(9) . . . . ?
C2 C1 C5 C4 -1.8(7) . . . . ?
C6 C1 C5 C4 -176.5(6) . . . . ?
Rh1 C1 C5 C4 61.1(4) . . . . ?
C2 C1 C5 C10 173.3(7) . . . . ?
C6 C1 C5 C10 -1.4(11) . . . . ?
Rh1 C1 C5 C10 -123.8(7) . . . . ?
C2 C1 C5 Rh1 -62.9(4) . . . . ?
C6 C1 C5 Rh1 122.4(6) . . . . ?
C2 C1 C6 C11 -78.5(11) . . . . ?
C5 C1 C6 C11 95.2(11) . . . . ?
Rh1 C1 C6 C11 -171.3(7) . . . . ?
C1 C6 C11 C12 165.9(12) . . . . ?
C13 O7 C12 C11 175.5(16) . . . . ?
C6 C11 C12 O7 -65.1(16) . . . . ?
C18 C14 C15 C16 1.5(7) . . . . ?
C19 C14 C15 C16 173.4(6) . . . . ?
Rh2 C14 C15 C16 -63.9(5) . . . . ?
C18 C14 C15 C20 -173.1(7) . . . . ?
C19 C14 C15 C20 -1.3(11) . . . . ?
Rh2 C14 C15 C20 121.4(7) . . . . ?
C18 C14 C15 Rh2 65.4(4) . . . . ?
C19 C14 C15 Rh2 -122.7(7) . . . . ?
C14 C15 C16 C17 -1.4(7) . . . . ?
C20 C15 C16 C17 173.4(6) . . . . ?
Rh2 C15 C16 C17 -64.4(4) . . . . ?
C14 C15 C16 C21 -173.7(7) . . . . ?
C20 C15 C16 C21 1.0(11) . . . . ?
Rh2 C15 C16 C21 123.3(7) . . . . ?
C14 C15 C16 Rh2 63.0(5) . . . . ?
C20 C15 C16 Rh2 -122.3(7) . . . . ?
C15 C16 C17 C18 0.7(7) . . . . ?
C21 C16 C17 C18 172.9(7) . . . . ?
Rh2 C16 C17 C18 -61.4(4) . . . . ?
C15 C16 C17 C22 -172.5(6) . . . . ?
C21 C16 C17 C22 -0.4(11) . . . . ?
Rh2 C16 C17 C22 125.4(7) . . . . ?
C15 C16 C17 Rh2 62.1(4) . . . . ?
C21 C16 C17 Rh2 -125.7(7) . . . . ?
C16 C17 C18 C14 0.2(7) . . . . ?
C22 C17 C18 C14 173.4(6) . . . . ?
Rh2 C17 C18 C14 -60.2(4) . . . . ?
C16 C17 C18 C23 -175.4(7) . . . . ?
C22 C17 C18 C23 -2.3(11) . . . . ?
Rh2 C17 C18 C23 124.1(8) . . . . ?
C16 C17 C18 Rh2 60.5(4) . . . . ?
C22 C17 C18 Rh2 -126.4(7) . . . . ?
C15 C14 C18 C17 -1.0(7) . . . . ?
C19 C14 C18 C17 -172.8(7) . . . . ?
Rh2 C14 C18 C17 62.2(4) . . . . ?
C15 C14 C18 C23 174.5(7) . . . . ?
C19 C14 C18 C23 2.8(12) . . . . ?
Rh2 C14 C18 C23 -122.2(7) . . . . ?
C15 C14 C18 Rh2 -63.3(4) . . . . ?
C19 C14 C18 Rh2 125.0(7) . . . . ?
C18 C14 C19 C24 88.3(11) . . . . ?
C15 C14 C19 C24 -82.0(10) . . . . ?
Rh2 C14 C19 C24 -173.8(7) . . . . ?
C14 C19 C24 C25 -174.7(9) . . . . ?
C26 O8 C25 C24 -177.1(11) . . . . ?
C19 C24 C25 O8 -73.3(14) . . . . ?