#------------------------------------------------------------------------------
#$Date: 2022-02-04 21:33:56 +0200 (Fri, 04 Feb 2022) $
#$Revision: 272658 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/89/7708926.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_7708926
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 93.949(3)
_cell_angle_gamma 90.0000
_cell_formula_units_Z 4
_cell_length_a 15.0360(6)
_cell_length_b 19.5219(8)
_cell_length_c 10.5714(4)
_cell_measurement_reflns_used 7951
_cell_measurement_temperature 296
_cell_measurement_theta_max 30.65
_cell_measurement_theta_min 3.42
_cell_volume 3095.7(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 0.999
_diffrn_measured_fraction_theta_max 0.908
_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 0.0271
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.908
_diffrn_reflns_limit_h_max 20
_diffrn_reflns_limit_h_min -21
_diffrn_reflns_limit_k_max 28
_diffrn_reflns_limit_k_min -27
_diffrn_reflns_limit_l_max 14
_diffrn_reflns_limit_l_min -15
_diffrn_reflns_number 16413
_diffrn_reflns_point_group_measured_fraction_full 0.908
_diffrn_reflns_point_group_measured_fraction_max 0.774
_diffrn_reflns_theta_full 25.242
_diffrn_reflns_theta_max 31.173
_diffrn_reflns_theta_min 2.510
_diffrn_standards_number 0
_exptl_absorpt_coefficient_mu 1.237
_exptl_absorpt_correction_T_max 0.884
_exptl_absorpt_correction_T_min 0.853
_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 1.606
_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 0.92
_refine_diff_density_min -0.53
_refine_ls_abs_structure_details
;
Flack x determined using 2715 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack -0.05(2)
_refine_ls_extinction_method none
_refine_ls_goodness_of_fit_ref 1.052
_refine_ls_hydrogen_treatment constr
_refine_ls_number_parameters 353
_refine_ls_number_reflns 7740
_refine_ls_number_restraints 2
_refine_ls_R_factor_all 0.0399
_refine_ls_R_factor_gt 0.0331
_refine_ls_shift/su_max 0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0416P)^2^+3.6451P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme calc
_refine_ls_wR_factor_gt 0.0791
_refine_ls_wR_factor_ref 0.0825
_reflns_Friedel_coverage 0.702
_reflns_Friedel_fraction_full 0.818
_reflns_Friedel_fraction_max 0.639
_reflns_number_gt 6972
_reflns_number_total 7740
_reflns_threshold_expression F^2^>2.0\s(F^2^)
_cod_data_source_file d1dt03347f2.cif
_cod_data_source_block sample7
_cod_depositor_comments
'Adding full bibliography for 7708925--7708931.cif.'
_cod_database_code 7708926
_shelx_res_file
;
shelxl.res created by SHELXL-2014/7
TITL sample7
CELL 0.71075 15.03600 19.52190 10.57140 90.00000 93.94900 90.00000
ZERR 4 0.00060 0.00080 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 0.041600 3.645100
FVAR 0.21239
RH1 3 0.439154 0.143794 0.056763 11.00000 0.02993 0.03630 =
0.02747 -0.00115 0.00080 0.00419
RH2 3 0.514067 0.232510 -0.090982 11.00000 0.02853 0.04174 =
0.02834 0.00056 -0.00413 -0.00277
S1 4 0.313681 0.155144 -0.077604 11.00000 0.02996 0.05415 =
0.04107 0.00082 -0.00434 -0.00229
S2 4 0.380794 0.233284 -0.209542 11.00000 0.03451 0.05661 =
0.03672 0.00716 -0.01136 -0.00346
O1 5 0.291389 0.094913 -0.153591 11.00000 0.06042 0.06726 =
0.06192 -0.00406 -0.01120 -0.02139
O2 5 0.238831 0.188322 -0.024395 11.00000 0.03721 0.08577 =
0.07450 0.00620 0.00096 0.00933
O3 5 0.384563 0.201783 -0.333714 11.00000 0.05942 0.08672 =
0.03598 -0.00013 -0.01205 -0.01018
O4 5 0.331479 0.297208 -0.207592 11.00000 0.05869 0.06881 =
0.07089 0.01158 -0.01922 0.00930
O7 5 0.752675 -0.035685 0.101672 11.00000 0.09092 0.19063 =
0.13910 0.04668 0.04363 0.06907
O8 5 0.496043 0.547301 -0.172952 11.00000 0.09551 0.06681 =
0.12501 -0.00900 -0.02103 -0.00407
C1 1 0.531908 0.079350 0.183656 11.00000 0.04125 0.04447 =
0.03974 0.01056 0.00073 0.00781
C2 1 0.461477 0.037449 0.130333 11.00000 0.06830 0.03688 =
0.03808 0.00652 0.00202 -0.00096
C3 1 0.380341 0.061861 0.170437 11.00000 0.04773 0.08973 =
0.06444 0.03872 -0.00624 0.00007
C4 1 0.399282 0.119258 0.251030 11.00000 0.08021 0.08940 =
0.04411 0.02921 0.02939 0.04402
C5 1 0.492189 0.129215 0.259679 11.00000 0.09690 0.04211 =
0.02963 0.00120 -0.01626 0.00945
C6 1 0.628726 0.069058 0.170413 11.00000 0.04334 0.10275 =
0.08938 0.05703 0.01426 0.01838
AFIX 23
H6A 2 0.659369 0.112223 0.186638 11.00000 -1.20000
H6B 2 0.637472 0.055891 0.083668 11.00000 -1.20000
AFIX 0
C7 1 0.473565 -0.024931 0.050402 11.00000 0.17144 0.04511 =
0.07083 -0.00957 0.00864 -0.00515
AFIX 137
H7A 2 0.428814 -0.025495 -0.018892 11.00000 -1.20000
H7B 2 0.468017 -0.065303 0.101107 11.00000 -1.20000
H7C 2 0.531598 -0.023907 0.017849 11.00000 -1.20000
AFIX 0
C8 1 0.291991 0.029135 0.140731 11.00000 0.06756 0.19407 =
0.15711 0.12069 -0.02289 -0.05283
AFIX 137
H8A 2 0.292565 0.004958 0.061713 11.00000 -1.20000
H8B 2 0.246557 0.063751 0.134287 11.00000 -1.20000
H8C 2 0.279850 -0.002420 0.207027 11.00000 -1.20000
AFIX 0
C9 1 0.332115 0.156261 0.320418 11.00000 0.21304 0.20721 =
0.09517 0.07219 0.10015 0.16439
AFIX 137
H9A 2 0.358650 0.196538 0.359029 11.00000 -1.20000
H9B 2 0.310953 0.127027 0.384908 11.00000 -1.20000
H9C 2 0.283088 0.169266 0.262414 11.00000 -1.20000
AFIX 0
C10 1 0.540390 0.180366 0.344526 11.00000 0.23876 0.07128 =
0.05928 -0.00004 -0.06926 -0.01894
AFIX 137
H10A 2 0.535971 0.167275 0.431402 11.00000 -1.20000
H10B 2 0.514138 0.224784 0.330508 11.00000 -1.20000
H10C 2 0.601997 0.181869 0.326123 11.00000 -1.20000
AFIX 0
C11 1 0.670671 0.014927 0.259316 11.00000 0.05120 0.10268 =
0.08533 0.04662 0.01243 0.02806
AFIX 23
H11A 2 0.675212 0.032444 0.345385 11.00000 -1.20000
H11B 2 0.632979 -0.025437 0.257303 11.00000 -1.20000
AFIX 0
C12 1 0.761687 -0.004231 0.221083 11.00000 0.05688 0.18764 =
0.13374 0.08741 0.02478 0.05592
AFIX 23
H12A 2 0.798572 0.036388 0.217370 11.00000 -1.20000
H12B 2 0.790025 -0.035445 0.282849 11.00000 -1.20000
AFIX 0
C13 1 0.830646 -0.053674 0.048727 11.00000 0.11207 0.45317 =
0.14665 0.11659 0.06102 0.14039
AFIX 137
H13A 2 0.866595 -0.081004 0.107903 11.00000 -1.20000
H13B 2 0.862770 -0.013023 0.028778 11.00000 -1.20000
H13C 2 0.816855 -0.079520 -0.027362 11.00000 -1.20000
AFIX 0
C14 1 0.577891 0.334347 -0.103889 11.00000 0.03583 0.04786 =
0.06157 -0.00787 -0.00419 -0.00597
C15 1 0.580436 0.300583 -0.225425 11.00000 0.03758 0.06016 =
0.04415 0.00481 -0.00373 -0.00586
C16 1 0.633839 0.240354 -0.208088 11.00000 0.04180 0.05363 =
0.04184 0.00607 0.00952 -0.01279
C17 1 0.666747 0.238452 -0.077940 11.00000 0.03278 0.05074 =
0.03974 0.00587 0.00338 -0.00580
C18 1 0.632889 0.295939 -0.013804 11.00000 0.02983 0.06075 =
0.04228 -0.00322 -0.00579 -0.01027
C19 1 0.537166 0.402193 -0.083118 11.00000 0.03454 0.04925 =
0.11575 -0.01352 0.00162 -0.00283
AFIX 23
H19A 2 0.522819 0.405991 0.004671 11.00000 -1.20000
H19B 2 0.482113 0.406200 -0.136075 11.00000 -1.20000
AFIX 0
C20 1 0.540630 0.324454 -0.349163 11.00000 0.07272 0.07913 =
0.05944 0.02317 -0.01102 -0.01647
AFIX 137
H20A 2 0.513948 0.286393 -0.395054 11.00000 -1.20000
H20B 2 0.586185 0.344219 -0.397009 11.00000 -1.20000
H20C 2 0.495867 0.358277 -0.335903 11.00000 -1.20000
AFIX 0
C21 1 0.659714 0.193554 -0.311227 11.00000 0.08524 0.06867 =
0.05937 -0.00684 0.02921 -0.01238
AFIX 137
H21A 2 0.685829 0.152648 -0.274508 11.00000 -1.20000
H21B 2 0.702178 0.216128 -0.360718 11.00000 -1.20000
H21C 2 0.607756 0.181824 -0.364710 11.00000 -1.20000
AFIX 0
C22 1 0.734170 0.188891 -0.023140 11.00000 0.03614 0.07970 =
0.08120 0.02233 0.00902 -0.00147
AFIX 137
H22A 2 0.739109 0.193336 0.067511 11.00000 -1.20000
H22B 2 0.790889 0.198285 -0.055905 11.00000 -1.20000
H22C 2 0.715967 0.143110 -0.045706 11.00000 -1.20000
AFIX 0
C23 1 0.657097 0.315479 0.119538 11.00000 0.03748 0.11697 =
0.05695 -0.03548 -0.00717 -0.00766
AFIX 137
H23A 2 0.714395 0.337385 0.125068 11.00000 -1.20000
H23B 2 0.659382 0.275211 0.171786 11.00000 -1.20000
H23C 2 0.613203 0.346505 0.148175 11.00000 -1.20000
AFIX 0
C24 1 0.601259 0.461490 -0.114942 11.00000 0.04568 0.06312 =
0.15750 -0.02204 0.00616 -0.00252
AFIX 23
H24A 2 0.658345 0.454589 -0.068172 11.00000 -1.20000
H24B 2 0.611043 0.459934 -0.204639 11.00000 -1.20000
AFIX 0
C25 1 0.566540 0.529837 -0.083811 11.00000 0.06949 0.05520 =
0.14116 -0.01922 -0.00442 -0.01385
AFIX 23
H25A 2 0.545349 0.529304 0.000799 11.00000 -1.20000
H25B 2 0.613735 0.563621 -0.085686 11.00000 -1.20000
AFIX 0
C26 1 0.464467 0.611486 -0.151146 11.00000 0.12384 0.06576 =
0.10683 0.00278 -0.01954 -0.00133
AFIX 137
H26A 2 0.513082 0.643468 -0.146406 11.00000 -1.20000
H26B 2 0.436020 0.611829 -0.072588 11.00000 -1.20000
H26C 2 0.422095 0.624297 -0.219109 11.00000 -1.20000
AFIX 0
C27 1 0.503198 0.127747 -0.105434 11.00000 0.04023 0.04545 =
0.02838 -0.00236 0.00344 -0.00057
AFIX 23
H27A 2 0.465755 0.111271 -0.177446 11.00000 -1.20000
H27B 2 0.558964 0.102785 -0.094217 11.00000 -1.20000
AFIX 0
C28 1 0.437772 0.248951 0.060140 11.00000 0.04063 0.03855 =
0.03690 -0.00565 -0.00056 0.00223
AFIX 23
H28A 2 0.468812 0.269727 0.133945 11.00000 -1.20000
H28B 2 0.380111 0.269881 0.039287 11.00000 -1.20000
AFIX 0
HKLF 4
REM sample7
REM R1 = 0.0331 for 6972 Fo > 4sig(Fo) and 0.0399 for all 7740 data
REM 353 parameters refined using 2 restraints
END
WGHT 0.0415 3.6315
REM No hydrogen bonds found for HTAB generation
REM Highest difference peak 0.917, deepest hole -0.530, 1-sigma level 0.088
Q1 1 0.4869 0.2663 -0.0816 11.00000 0.05 0.87
Q2 1 0.5389 0.2671 -0.0944 11.00000 0.05 0.81
Q3 1 0.5152 0.0563 -0.0872 11.00000 0.05 0.78
Q4 1 0.4404 0.3178 0.0572 11.00000 0.05 0.77
Q5 1 0.3604 0.2305 0.2020 11.00000 0.05 0.76
;
_shelx_res_checksum 4032
_shelx_hkl_file
;
0 0 2 969.67 24.57
0 0 -2 1254.40 31.69
0 0 3 0.25 0.67
0 0 -3 0.47 0.68
0 0 -4 773.53 20.02
0 0 -5 -0.89 1.17
0 0 6 1152.73 30.01
0 0 -6 1249.59 32.26
0 0 7 -3.80 2.44
0 0 -7 -2.03 1.83
0 0 8 1591.11 41.46
0 0 -8 1636.75 42.33
0 0 9 -2.17 3.49
0 0 -9 -0.63 1.91
0 0 10 -4.12 4.01
0 0 -10 1.18 2.02
0 0 11 -3.26 4.79
0 0 -11 -2.15 2.22
0 0 12 164.87 8.20
0 0 -12 164.14 6.31
0 0 13 -3.00 6.15
0 0 -13 -3.51 2.91
0 0 14 208.38 10.27
0 0 -14 212.85 8.01
0 2 -1 2872.95 69.21
0 2 -1 2598.80 69.29
0 -2 2 2193.53 55.22
0 2 -2 2459.51 60.31
0 -2 -2 2321.55 60.38
0 -2 3 95.93 2.89
0 2 3 86.40 2.90
0 -2 -3 121.94 3.69
0 2 4 169.09 5.04
0 -2 4 168.60 4.99
0 2 -4 151.39 4.46
0 -2 -4 159.48 4.69
0 -2 5 616.88 16.54
0 2 5 631.15 16.57
0 2 -5 632.44 16.52
0 -2 -5 627.76 16.71
0 -2 6 487.60 13.05
0 2 6 458.91 12.95
0 -2 -6 467.32 12.93
0 2 -6 474.91 12.72
0 -2 7 441.84 12.45
0 2 -7 455.11 12.40
0 -2 -7 443.19 12.58
0 -2 8 665.03 18.30
0 -2 -8 678.42 18.45
0 2 -8 674.33 18.22
0 -2 9 243.67 8.22
0 2 -9 244.75 7.66
0 -2 -9 242.06 7.85
0 2 10 117.15 6.34
0 -2 10 116.36 5.73
0 -2 -10 120.19 4.96
0 2 -10 126.85 4.92
0 -2 11 48.76 5.00
0 2 11 47.32 5.71
0 -2 -11 63.75 3.68
0 2 -11 55.92 3.47
0 2 12 47.63 2.16
0 2 12 54.83 6.51
0 -2 12 60.17 5.91
0 -2 -12 57.81 3.80
0 2 -12 60.62 3.73
0 2 13 40.18 1.89
0 2 13 60.28 7.73
0 2 13 64.15 7.11
0 -2 13 56.85 6.44
0 -2 -13 68.73 4.28
0 2 -13 62.33 4.04
0 2 14 47.78 7.57
0 -2 14 53.04 6.75
0 2 -14 54.15 4.08
0 -2 -14 52.28 4.31
0 -2 -15 42.28 4.48
0 4 0 328.04 8.53
0 -4 0 345.41 8.60
0 -4 1 702.96 18.08
0 4 -1 663.65 17.07
0 -4 2 714.23 18.49
0 4 -2 770.51 19.33
0 4 -2 737.34 19.14
0 -4 3 2177.73 55.26
0 4 -3 2117.74 52.56
0 -4 -3 1998.14 52.71
0 4 -3 2112.18 52.72
0 4 4 682.77 18.10
0 -4 4 689.50 17.89
0 -4 -4 696.55 18.32
0 4 5 579.87 15.76
0 -4 5 594.55 15.64
0 -4 -5 586.66 15.71
0 4 6 391.43 11.06
0 -4 6 386.84 10.88
0 4 -6 392.30 10.70
0 -4 -6 392.13 11.08
0 -4 7 448.28 12.68
0 4 7 459.44 12.85
0 4 -7 442.17 12.12
0 -4 -7 440.32 12.48
0 4 8 249.64 6.59
0 -4 8 246.75 6.50
0 4 -8 229.01 7.00
0 -4 -8 234.99 7.45
0 4 9 35.21 1.29
0 -4 9 57.97 3.60
0 4 -9 63.31 3.13
0 -4 -9 57.45 3.44
0 -4 10 428.12 12.95
0 -4 -10 456.33 13.28
0 4 -10 448.72 12.89
0 -4 11 0.69 4.07
0 4 -11 12.63 2.43
0 -4 -11 3.80 2.66
0 -4 12 24.73 4.71
0 -4 -12 24.32 3.13
0 4 -12 23.82 2.75
0 -4 13 40.73 8.31
0 -4 13 34.91 7.40
0 4 13 30.71 7.32
0 4 -13 39.37 3.38
0 -4 -13 37.86 3.69
0 4 -14 3.13 2.81
0 -4 -14 -3.75 3.55
0 -4 -15 7.95 3.80
0 6 0 46.76 1.79
0 6 0 40.69 1.78
0 -6 1 715.80 18.44
0 6 1 703.89 18.42
0 6 -1 726.14 18.83
0 -6 2 1345.60 34.45
0 6 -2 1351.47 34.13
0 6 -2 1318.32 34.04
0 -6 3 864.53 22.60
0 6 -3 821.51 18.62
0 6 -3 812.85 18.35
0 -6 4 470.51 12.96
0 -6 4 487.72 13.17
0 6 -4 480.51 12.57
0 -6 -4 444.54 12.84
0 6 -4 486.97 12.81
0 -6 5 816.94 21.73
0 6 5 799.89 21.51
0 -6 5 816.78 21.46
0 -6 -5 814.65 21.62
0 6 6 23.67 2.37
0 -6 6 26.99 3.38
0 -6 6 25.34 2.32
0 -6 -6 29.60 2.12
0 -6 7 23.87 3.81
0 -6 7 19.63 2.74
0 6 7 20.62 2.59
0 -6 -7 22.30 2.23
0 6 -7 24.37 1.81
0 -6 8 111.71 4.42
0 -6 8 121.47 5.38
0 6 8 115.60 5.00
0 -6 8 112.01 6.36
0 -6 -8 106.62 4.51
0 6 -8 106.73 3.99
0 6 9 266.66 9.85
0 -6 9 286.47 9.77
0 6 9 285.69 9.26
0 -6 9 288.51 10.44
0 6 -9 276.70 8.35
0 -6 -9 282.16 8.99
0 -6 10 255.30 9.38
0 -6 10 239.62 10.23
0 6 10 240.06 8.62
0 6 10 245.58 9.64
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10 8 7 181.42 7.31
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-10 8 -7 180.66 7.07
-10 -8 -7 192.09 7.21
10 -8 8 0.36 2.74
10 8 8 0.30 5.11
-10 8 -8 0.12 2.80
-10 -8 -8 -0.38 2.93
10 -8 9 57.17 4.34
10 8 9 58.13 6.43
-10 8 -9 60.52 4.26
10 -8 10 23.51 3.58
10 8 10 11.89 6.65
-10 8 -10 30.19 3.79
10 8 11 11.45 7.30
10 -8 11 13.16 3.49
-10 8 -11 14.66 3.55
10 8 12 34.69 8.29
10 -8 12 36.18 4.07
-10 -10 13 15.45 4.61
-10 10 12 -0.59 3.58
-10 -10 12 3.41 3.80
-10 10 12 6.40 3.89
-10 -10 11 15.39 3.52
-10 -10 11 10.54 2.52
-10 10 11 11.80 3.39
-10 10 11 17.17 3.97
-10 -10 11 19.19 7.96
-10 -10 10 91.60 4.17
-10 10 10 108.61 5.65
-10 10 10 92.45 4.84
-10 -10 10 109.01 8.86
-10 -10 10 95.60 4.88
-10 10 9 64.80 3.78
-10 -10 9 66.89 3.29
-10 -10 9 61.72 3.83
-10 10 9 71.37 3.56
-10 -10 9 70.84 7.61
-10 10 9 76.20 4.86
-10 -10 8 159.91 8.53
-10 10 8 137.22 5.20
-10 -10 8 137.48 5.24
-10 -10 8 128.54 4.69
-10 10 8 147.80 5.30
-10 10 8 146.17 6.22
-10 10 7 76.69 3.71
-10 -10 7 69.43 2.88
-10 10 7 78.50 4.72
-10 -10 7 82.67 6.48
-10 10 7 73.68 3.32
-10 -10 7 68.09 3.33
10 10 -6 71.81 4.26
-10 10 6 64.38 4.28
-10 -10 6 61.67 2.89
-10 10 6 69.46 2.84
-10 -10 6 68.59 2.53
-10 10 6 74.94 3.62
-10 -10 6 64.39 5.89
10 10 -5 13.96 2.76
-10 10 5 16.83 2.47
-10 -10 5 15.66 4.40
-10 10 5 18.45 3.33
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10 10 -4 151.70 6.17
10 -10 -4 149.06 5.65
-10 10 4 154.45 6.13
-10 -10 4 152.31 7.02
10 10 -3 170.85 6.48
10 -10 -3 166.37 6.19
-10 -10 3 189.30 7.17
-10 -10 3 145.55 4.26
10 -10 -2 384.58 11.58
10 10 -2 381.18 11.78
-10 -10 2 367.59 8.61
-10 -10 2 287.67 7.97
10 -10 -1 90.59 4.18
10 10 -1 87.51 4.43
-10 -10 1 79.53 2.59
-10 -10 1 101.26 3.39
10 10 0 164.64 6.31
10 -10 0 158.71 6.03
-10 -10 0 177.59 5.74
10 10 1 26.29 2.91
10 -10 1 33.62 2.78
-10 -10 -1 36.24 2.44
10 10 2 84.48 4.42
-10 -10 -2 86.22 5.70
-10 -10 -2 92.98 3.98
10 -10 3 40.53 2.65
-10 -10 -3 49.58 4.84
-10 -10 -3 44.87 3.16
10 -10 4 326.31 9.63
10 -10 4 329.08 10.63
-10 -10 -4 323.38 10.44
-10 10 -4 308.08 10.13
-10 -10 -4 335.55 10.19
10 -10 5 239.97 8.51
10 10 5 236.33 7.42
10 -10 5 241.12 8.17
-10 10 -5 246.76 8.68
-10 -10 -5 260.79 8.73
-10 -10 -5 250.42 8.79
10 -10 6 286.10 9.79
10 -10 6 293.98 9.89
10 10 6 286.28 9.13
-10 10 -6 266.81 9.30
-10 -10 -6 283.96 9.47
-10 10 -6 287.27 9.62
10 -10 7 64.55 6.12
10 10 7 66.21 5.30
10 -10 7 76.03 4.60
-10 -10 -7 72.89 4.44
-10 10 -7 61.40 4.32
-10 10 -7 70.07 4.41
10 -10 8 14.64 6.11
10 10 8 7.13 5.30
10 -10 8 7.54 2.95
-10 -10 -8 15.95 3.14
-10 10 -8 8.43 2.85
10 10 9 9.11 6.08
10 -10 9 7.81 3.15
10 -10 9 10.16 7.21
-10 -10 -9 9.11 3.24
-10 10 -9 12.26 3.22
10 -10 10 32.95 8.11
10 10 10 29.80 6.91
10 -10 10 33.76 4.01
-10 10 -10 40.56 4.06
10 -10 11 26.80 9.12
10 -10 11 20.92 3.84
10 10 11 19.22 7.60
10 -10 12 52.69 10.19
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-10 12 11 18.95 4.74
-10 12 11 12.19 3.30
-10 -12 11 13.39 3.33
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-10 -12 10 8.13 8.21
-10 12 9 183.64 7.88
-10 -12 9 183.71 6.47
-10 12 9 180.81 6.46
-10 -12 9 177.15 10.39
-10 12 8 -3.12 4.28
-10 12 8 1.89 2.11
-10 -12 8 -1.03 6.87
-10 -12 7 134.93 8.47
-10 12 7 149.08 6.66
-10 12 7 132.87 4.74
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-10 -12 6 -1.43 5.71
10 12 -5 2.72 2.55
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-10 -12 5 0.99 5.23
10 -12 -4 34.40 2.97
10 12 -4 36.46 3.49
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10 12 -3 433.49 13.41
10 -12 -3 442.92 13.03
10 12 -2 15.82 3.09
10 -12 -2 8.81 2.69
-10 -12 2 6.18 1.58
10 -12 -1 519.98 15.27
10 12 -1 527.35 15.54
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10 12 0 2.01 2.76
10 -12 0 8.34 2.35
-10 -12 0 7.46 1.77
10 12 1 25.49 3.17
10 -12 1 30.46 3.06
-10 -12 -1 29.69 2.46
10 -12 2 32.19 3.14
10 12 2 23.66 3.09
-10 -12 -2 25.24 2.47
10 -12 3 133.15 4.43
10 12 3 152.12 6.24
-10 -12 -3 152.45 5.70
-10 -12 -3 134.89 6.81
10 -12 4 29.25 3.57
-10 -12 -4 26.17 4.86
-10 12 -4 30.24 3.33
-10 -12 -4 27.67 3.15
10 -12 5 573.18 16.40
10 -12 5 596.83 17.44
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-10 -12 -5 623.26 17.67
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10 -12 6 3.03 5.02
10 -12 6 5.18 3.01
10 12 6 -0.78 3.93
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-10 -12 -6 4.37 4.32
-10 -12 -6 0.11 3.01
10 12 7 81.57 5.44
10 -12 7 81.92 6.69
10 -12 7 80.95 4.95
-10 -12 -7 93.14 5.05
-10 12 -7 87.61 4.96
-10 12 -7 92.55 4.90
-10 -12 -7 77.55 4.93
10 -12 8 9.23 3.10
10 -12 8 10.92 6.40
10 12 8 8.95 5.38
-10 12 -8 6.92 2.98
-10 12 -8 5.79 3.14
-10 -12 -8 15.19 3.28
10 -12 9 7.13 7.35
10 -12 9 1.89 3.18
10 12 9 8.52 5.87
-10 -12 -9 0.43 3.33
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10 12 10 1.30 6.89
10 -12 10 6.14 7.96
10 -12 10 2.56 3.42
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-10 14 10 33.71 5.91
-10 14 9 37.91 5.78
-10 -14 9 40.56 8.57
-10 14 8 50.78 5.85
-10 -14 8 49.40 8.30
10 14 -7 26.92 3.72
-10 -14 7 25.13 7.49
-10 14 7 33.32 5.41
10 14 -6 56.84 4.41
-10 14 6 63.28 5.56
-10 14 6 50.24 2.27
-10 -14 6 53.92 7.28
10 14 -5 48.27 4.01
10 -14 -5 55.19 3.39
-10 -14 5 51.78 7.00
-10 14 5 52.51 5.51
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-10 14 5 37.71 1.44
10 14 -4 43.34 3.87
10 -14 -4 40.80 3.18
-10 -14 4 43.09 6.56
-10 14 4 45.63 5.38
10 14 -3 150.90 6.50
10 -14 -3 148.87 5.91
-10 14 3 138.72 6.95
10 14 -2 85.11 4.86
10 -14 -2 76.76 4.32
-10 -14 2 69.16 2.85
10 14 -1 171.96 6.90
10 -14 -1 157.89 6.45
-10 -14 1 167.66 5.49
10 -14 0 115.90 5.39
10 14 0 107.89 5.50
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10 14 1 69.73 4.60
10 -14 1 74.84 4.42
-10 -14 -1 59.67 3.40
10 -14 2 45.38 3.59
10 14 2 37.90 3.81
-10 -14 -2 45.76 3.15
10 14 3 105.53 5.45
10 -14 3 112.56 5.31
-10 -14 -3 113.70 4.97
10 -14 4 91.51 4.33
10 14 4 99.30 5.30
-10 14 -4 98.84 5.08
-10 -14 -4 97.54 4.82
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10 -14 5 166.01 6.92
10 -14 5 161.10 6.56
10 14 5 152.05 5.55
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10 -14 6 78.41 6.11
10 -14 6 82.70 5.05
10 14 6 74.74 4.72
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10 -14 7 77.00 6.71
10 -14 7 76.17 4.98
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-10 -14 -7 76.83 4.76
-10 -14 -7 69.36 4.80
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10 14 8 27.34 5.47
10 -14 8 25.60 7.09
10 -14 8 33.69 4.09
-10 14 -8 33.51 3.87
-10 14 -8 39.79 4.08
-10 -14 -8 37.98 4.01
10 -14 9 19.47 7.61
10 -14 9 21.76 3.95
-10 14 -9 18.31 3.65
-10 -14 -9 17.33 3.67
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-10 16 8 10.49 5.91
-10 -16 8 3.17 8.54
10 16 -7 41.22 4.45
-10 16 7 59.68 6.84
-10 -16 7 44.53 8.67
10 16 -6 -1.02 3.55
-10 16 6 1.01 5.84
-10 16 6 1.39 1.22
-10 16 6 4.37 1.20
10 -16 -5 174.78 6.42
10 16 -5 160.26 7.21
-10 16 5 81.07 2.31
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10 -16 -4 10.34 2.64
10 16 -4 9.02 3.36
-10 16 4 9.90 5.92
10 -16 -3 76.93 4.24
10 16 -3 79.39 4.88
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10 -16 -2 24.34 2.91
10 16 -2 20.06 3.50
10 -16 -1 27.04 3.15
10 16 -1 26.93 3.67
-10 -16 1 25.97 2.22
10 -16 0 5.87 2.92
-10 -16 0 6.02 2.14
10 -16 1 204.70 7.81
-10 -16 -1 192.84 6.65
10 -16 2 4.91 2.91
-10 -16 -2 2.47 2.59
10 -16 3 176.73 7.30
-10 -16 -3 168.24 6.44
10 16 4 6.87 1.17
10 -16 4 14.70 3.38
-10 -16 -4 3.23 5.26
-10 -16 -4 10.52 2.84
10 16 5 3.75 2.57
10 -16 5 2.98 4.46
-10 -16 -5 4.45 2.86
-10 -16 -5 -0.28 4.89
10 -16 6 25.50 5.46
10 16 6 20.03 3.81
10 -16 6 16.76 3.66
-10 -16 -6 20.32 4.70
-10 -16 -6 23.46 3.59
10 -16 7 89.28 7.43
10 -16 7 100.99 5.82
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-10 -16 -7 101.99 5.78
10 -16 8 4.15 3.64
-10 -16 -8 9.88 3.85
-10 16 -8 7.42 3.70
-10 16 -8 8.35 3.52
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-10 18 7 9.85 6.84
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10 -18 -5 72.62 4.21
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10 -18 -4 61.11 4.12
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10 -18 -3 24.48 3.22
10 -18 -2 7.15 2.75
10 -18 -1 10.50 2.89
10 -18 0 71.37 4.75
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10 -18 1 62.16 4.52
-10 -18 -1 53.90 3.54
10 -18 2 87.25 5.25
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10 -18 3 37.49 3.97
-10 -18 -3 24.99 3.22
10 -18 4 35.81 3.97
-10 -18 -4 30.38 5.80
-10 -18 -4 30.59 3.55
10 -18 5 4.67 4.53
-10 -18 -5 -0.24 3.10
-10 -18 -5 7.48 5.20
-10 -18 -6 3.47 3.28
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10 -20 -4 42.83 3.85
10 -20 -3 39.39 3.90
10 -20 -2 8.63 3.21
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10 -20 -1 63.87 4.62
-10 20 1 57.24 7.85
10 -20 0 39.02 3.96
10 -20 1 11.07 3.30
-10 -20 -1 7.36 2.57
10 -20 2 32.63 3.90
10 20 2 36.03 4.58
-10 -20 -2 31.39 3.31
10 -20 3 5.08 3.28
10 20 3 14.24 3.94
-10 -20 -3 4.14 3.04
10 20 4 30.02 4.35
10 -20 4 23.15 4.05
-10 -20 -4 24.93 3.66
-10 20 -4 22.04 3.97
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10 -20 5 37.74 4.55
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-10 -20 -5 47.20 4.35
-10 20 -6 22.71 3.53
-10 -20 -6 24.98 4.30
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10 -22 -4 0.36 3.12
10 -22 -3 45.20 4.44
10 22 -3 56.34 5.28
10 -22 -2 38.48 4.31
10 22 -2 49.25 5.12
-10 22 2 38.74 8.52
10 -22 -1 45.28 4.42
10 22 -1 50.90 5.04
-10 22 1 36.33 8.48
10 -22 0 18.03 3.69
10 22 0 18.36 4.27
-10 22 0 13.98 8.09
10 -22 1 3.07 3.24
10 22 1 -0.86 3.93
10 -22 2 -3.50 3.51
10 22 2 -4.87 4.03
10 -22 3 13.83 3.89
-10 -22 -3 11.51 3.38
-10 -22 -4 13.00 3.62
-10 -22 -5 62.59 5.05
10 -24 -3 2.64 3.25
10 -24 -2 43.88 4.47
10 -24 -1 1.93 3.49
10 -24 0 21.39 3.97
-11 1 13 32.09 5.91
-11 -1 13 39.24 6.55
-11 -1 12 7.38 5.21
-11 -1 12 6.74 3.02
-11 1 12 5.95 2.78
-11 1 12 5.67 4.65
-11 1 11 8.87 2.73
-11 1 11 5.42 1.84
-11 -1 11 2.26 4.29
-11 -1 11 10.10 2.90
-11 1 11 4.41 3.88
-11 -1 10 19.50 3.88
-11 -1 10 22.77 3.22
-11 1 10 24.69 3.87
-11 1 10 22.81 3.12
-11 -1 10 24.30 1.77
-11 1 10 22.92 2.23
-11 1 9 171.38 6.56
-11 -1 9 165.01 5.28
-11 1 9 183.39 7.00
-11 1 9 180.54 5.75
-11 -1 9 194.66 7.23
-11 -1 8 56.99 2.57
-11 1 8 64.89 4.02
-11 1 8 56.55 2.95
-11 1 8 60.09 3.85
-11 -1 8 65.31 4.16
-11 -1 7 289.12 8.25
-11 1 7 309.34 9.62
-11 1 7 306.03 9.39
-11 -1 7 296.45 9.52
-11 1 7 291.07 8.59
-11 -1 7 293.06 9.62
-11 -1 6 10.44 2.30
-11 1 6 7.23 2.61
-11 -1 6 8.47 1.35
-11 1 6 10.76 1.67
-11 -1 6 6.54 2.94
-11 1 6 9.56 2.12
-11 -1 5 32.39 3.35
-11 1 5 29.26 3.17
-11 -1 5 30.58 2.59
-11 1 5 31.16 2.32
-11 1 4 94.34 3.70
-11 1 4 91.11 4.63
-11 -1 4 93.51 3.89
-11 -1 4 90.01 4.83
11 -1 -3 744.55 19.32
11 1 -3 711.61 19.53
-11 -1 3 705.32 19.34
-11 1 3 724.70 19.10
-11 -1 3 678.20 19.93
11 1 -2 268.33 8.01
11 -1 -2 267.68 7.74
11 1 -1 890.54 23.30
11 -1 -1 876.03 23.01
11 1 0 17.60 1.91
11 -1 0 19.29 1.71
-11 1 0 19.36 3.59
-11 -1 0 23.03 3.67
11 1 1 147.05 5.12
11 -1 1 160.65 5.01
-11 1 -1 149.44 6.43
-11 -1 -1 165.23 6.42
-11 -1 -1 149.11 4.70
11 -1 2 21.30 2.24
-11 -1 -2 22.64 1.67
-11 1 -2 19.49 1.81
-11 1 -2 20.10 4.14
-11 -1 -2 26.94 3.97
11 -1 3 204.96 6.93
-11 -1 -3 197.02 6.13
-11 1 -3 201.06 6.35
-11 1 -3 214.04 7.89
-11 -1 -3 208.13 7.90
11 -1 4 82.81 3.96
-11 -1 -4 74.64 3.72
-11 1 -4 79.27 3.49
-11 1 -4 81.39 5.61
-11 -1 -4 73.15 5.32
11 -1 5 772.03 21.18
-11 1 -5 790.46 21.90
-11 -1 -5 809.02 21.90
11 1 6 144.72 5.44
11 -1 6 138.73 5.56
-11 1 -6 144.34 5.85
-11 -1 -6 141.27 5.78
11 -1 7 242.18 8.15
11 1 7 248.15 7.98
-11 -1 -7 247.17 8.63
-11 1 -7 259.01 8.72
11 -1 8 14.50 2.49
11 1 8 14.41 2.28
-11 1 -8 12.53 2.94
-11 -1 -8 14.98 2.84
-11 1 -8 11.61 2.77
11 1 9 -0.08 2.04
11 -1 9 2.79 2.14
-11 -1 -9 3.04 2.73
-11 1 -9 4.77 2.77
-11 1 -9 -0.61 2.66
11 -1 10 15.52 2.65
-11 -1 -10 19.86 3.64
-11 1 -10 15.63 3.47
11 -1 11 128.54 5.47
-11 -1 -11 138.89 6.84
-11 1 -11 139.35 6.90
-11 -3 13 24.47 4.65
-11 3 13 28.33 5.26
-11 3 12 14.37 2.88
-11 -3 12 12.40 6.41
-11 3 12 9.43 4.31
-11 3 11 48.96 3.60
-11 3 11 51.97 3.19
-11 3 11 46.17 4.41
-11 -3 11 46.44 5.89
-11 -3 10 77.89 5.77
-11 3 10 82.35 4.82
-11 3 10 78.31 3.83
-11 3 10 75.81 4.22
-11 -3 9 9.14 3.84
-11 3 9 9.65 2.18
-11 3 9 8.41 2.47
-11 3 9 8.63 2.74
-11 3 8 89.67 4.28
-11 3 8 89.32 3.69
-11 3 8 93.26 4.28
-11 -3 8 96.35 4.98
-11 -3 7 19.99 1.22
-11 3 7 22.29 2.66
-11 3 7 25.35 2.88
-11 -3 7 21.59 3.17
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-11 -3 6 95.31 4.47
-11 -3 6 86.83 2.91
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-11 3 6 92.19 3.90
-11 -3 5 182.91 5.26
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-11 -3 5 187.17 6.54
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-11 3 5 178.74 5.91
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-11 -3 4 136.28 5.22
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11 3 -3 427.56 12.25
-11 -3 3 416.74 12.12
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11 -3 -1 46.46 1.96
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11 -3 0 288.07 7.93
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11 -3 1 179.77 5.35
-11 -3 -1 176.42 6.96
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-11 -3 -2 39.13 4.48
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-11 3 -3 297.95 9.08
-11 3 -3 297.72 10.29
-11 -3 -3 304.34 9.05
-11 -3 -3 322.47 10.27
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-11 -3 -4 447.86 13.01
-11 -3 -4 455.81 13.70
-11 -3 -4 467.50 13.35
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-11 -3 -5 156.23 5.93
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-11 -3 -6 278.74 9.13
-11 -3 -6 286.22 9.49
11 -3 7 124.93 5.37
-11 -3 -7 135.42 5.78
-11 3 -7 147.74 6.01
11 -3 8 5.66 2.42
-11 3 -8 4.59 2.72
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11 -3 10 21.44 3.03
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-11 -3 -10 20.06 3.76
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-11 -3 -11 84.51 5.53
-11 3 -11 68.97 5.28
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-11 -5 13 34.61 5.24
-11 -5 12 11.81 4.32
-11 5 12 12.08 3.07
-11 5 12 12.59 4.20
-11 -5 12 13.25 3.57
-11 -5 12 13.25 7.03
-11 5 11 118.12 5.09
-11 -5 11 110.51 7.98
-11 5 11 112.89 5.96
-11 5 11 123.51 5.22
-11 5 10 15.68 2.77
-11 5 10 13.41 3.21
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19 5 -3 50.61 4.17
-19 5 3 47.52 7.93
-19 -5 3 61.17 8.54
-19 -5 3 48.13 3.37
19 5 -2 7.40 3.26
-19 -5 2 14.32 7.79
-19 5 2 8.29 7.54
-19 -5 2 2.83 2.68
19 5 -1 97.71 5.26
-19 -5 1 100.10 9.45
-19 -5 1 103.36 4.94
19 5 0 30.37 3.68
-19 -5 0 23.61 3.29
-19 -5 0 13.49 8.09
19 5 1 47.04 4.02
-19 -5 -1 41.63 3.77
-19 -5 -1 38.22 8.82
-19 -5 -1 40.97 3.40
-19 5 -1 42.52 3.55
19 5 2 11.75 3.29
-19 5 -2 10.57 2.98
-19 -5 -2 10.52 2.95
-19 -5 -2 12.04 3.31
-19 -5 -2 11.63 8.50
19 5 3 6.22 3.46
-19 -5 -3 2.19 3.38
-19 -5 -3 3.84 3.11
-19 5 -3 7.08 2.99
-19 -5 -3 4.12 8.82
19 5 4 22.81 3.96
-19 -5 -4 13.26 3.55
-19 -5 -4 20.79 4.22
-19 5 -4 20.63 3.39
-19 -5 -4 8.61 8.97
19 5 5 124.11 6.45
-19 -5 -5 121.79 10.44
-19 -5 -5 127.51 6.29
-19 7 6 40.53 4.40
19 7 -5 12.26 3.57
19 7 -4 3.20 3.23
-19 7 4 7.61 7.00
19 7 -3 18.04 3.63
-19 -7 3 14.40 8.48
-19 7 3 24.82 7.77
19 7 -2 105.37 5.65
-19 7 2 78.70 8.64
-19 -7 2 97.44 4.47
-19 -7 2 83.87 9.40
19 7 -1 6.00 3.35
-19 7 1 0.32 7.54
-19 -7 1 14.60 8.44
-19 -7 1 8.61 2.86
19 7 0 83.45 5.02
-19 -7 0 68.25 3.92
-19 -7 0 76.63 9.02
-19 -7 0 75.88 4.39
19 7 1 10.78 3.40
-19 7 -1 9.28 3.12
-19 -7 -1 7.59 3.05
-19 -7 -1 8.57 2.75
19 7 2 12.00 3.47
-19 -7 -2 9.23 2.83
-19 -7 -2 11.00 3.35
-19 7 -2 8.32 3.19
-19 -7 -2 8.97 8.90
19 7 3 32.26 4.15
-19 -7 -3 29.00 9.08
-19 7 -3 26.17 3.83
-19 -7 -3 31.60 3.48
-19 -7 -3 25.22 3.88
19 7 4 27.28 4.24
-19 -7 -4 23.78 3.67
-19 7 -4 26.12 3.81
-19 -7 -4 24.19 4.08
-19 -7 -4 23.24 9.10
19 7 5 27.98 4.62
-19 -7 -5 33.99 9.60
-19 7 -5 24.22 4.01
-19 -7 -5 30.58 3.98
-19 9 6 13.75 4.28
19 9 -5 47.78 4.65
-19 9 5 49.43 5.13
19 9 -4 12.61 3.97
19 9 -3 68.20 5.07
19 9 -2 25.99 4.07
19 9 -1 7.08 3.66
-19 -9 1 9.09 8.58
19 9 0 20.21 3.87
-19 -9 0 21.28 3.17
-19 -9 0 25.10 8.69
19 9 1 23.41 3.99
-19 -9 -1 21.25 8.97
-19 -9 -1 21.97 3.42
19 9 2 16.19 4.04
-19 -9 -2 11.27 3.52
-19 9 -2 8.91 3.59
-19 -9 -2 12.27 9.23
19 9 3 90.21 5.81
-19 -9 -3 89.38 5.29
-19 9 -3 72.26 5.23
-19 -9 -3 75.20 10.32
19 9 4 33.24 4.68
-19 -9 -4 48.39 4.66
-19 9 -4 34.24 4.31
-19 -9 -4 34.97 9.59
19 11 -4 89.81 5.82
19 11 -3 16.31 4.35
19 11 -2 25.08 4.35
19 11 -1 -1.34 4.11
19 11 0 -5.15 4.13
19 11 1 7.11 3.88
19 11 2 77.41 5.71
-19 11 -2 67.53 5.13
-19 -11 -2 72.74 4.85
-19 -11 -3 47.71 4.60
-20 0 -3 4.00 3.47
-20 -2 -2 62.12 4.47
-20 -2 -3 71.34 5.29
-20 -2 -3 70.27 5.01
-20 -2 -4 93.71 5.61
-20 -4 2 19.40 3.07
-20 -4 1 2.54 2.87
-20 -4 0 81.37 4.73
-20 4 0 72.46 4.36
-20 -4 -1 10.20 3.38
-20 -4 -1 10.35 2.99
-20 -4 -2 37.16 3.86
-20 -4 -2 42.71 4.28
-20 -4 -3 32.70 4.29
-20 -4 -3 31.77 4.03
-20 -4 -4 12.46 3.76
20 6 -3 2.11 3.26
20 6 -2 34.28 3.94
20 6 -1 28.88 3.88
20 6 0 30.07 3.84
-20 -6 0 21.05 3.06
-20 -6 0 28.78 3.51
20 6 1 37.55 4.16
-20 -6 -1 39.54 4.00
-20 -6 -1 35.17 3.53
-20 6 -1 34.75 3.64
20 6 2 15.69 3.77
-20 -6 -2 17.87 3.28
-20 -6 -2 18.01 3.82
-20 6 -2 19.70 3.36
-20 -6 -3 1.87 3.69
20 8 -4 40.46 4.41
20 8 -3 1.69 3.50
20 8 -2 19.66 3.98
20 8 -1 19.66 3.80
20 8 0 3.66 3.61
20 8 1 61.23 4.89
-20 8 -1 43.32 4.23
-20 -8 -1 44.29 4.07
20 8 2 25.30 4.36
-20 -8 -2 26.78 3.92
-20 8 -2 23.37 3.93
20 8 3 0.15 3.85
-20 -8 -3 2.48 3.62
20 10 -4 57.38 5.32
20 10 -3 31.34 4.66
20 10 -2 22.02 4.30
20 10 -1 -2.91 4.15
20 10 0 -6.27 4.11
20 10 1 11.38 4.14
-20 10 -1 5.71 3.73
-20 10 -2 38.62 4.58
-21 -1 -2 18.62 3.66
-21 -3 0 2.26 3.36
-21 -3 -1 69.80 5.01
-21 -3 -2 39.75 4.47
-21 -3 -2 33.53 4.15
-21 -3 -3 17.36 3.91
-21 -5 -1 72.60 5.02
-21 -5 -2 7.51 3.80
0 0 0 0.00 0.00
_computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)'
;
_shelx_hkl_checksum 68757
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 0.43915(3) 0.14379(2) 0.05676(3) 0.03129(9) Uani 1 1 d . . . . .
Rh2 Rh 0.51407(2) 0.23251(2) -0.09098(3) 0.03315(10) Uani 1 1 d . . . . .
S1 S 0.31368(9) 0.15514(8) -0.07760(14) 0.0420(3) Uani 1 1 d . . . . .
S2 S 0.38079(9) 0.23328(8) -0.20954(13) 0.0433(3) Uani 1 1 d . . . . .
O1 O 0.2914(4) 0.0949(3) -0.1536(5) 0.0639(13) Uani 1 1 d . . . . .
O2 O 0.2388(3) 0.1883(3) -0.0244(6) 0.0660(14) Uani 1 1 d . . . . .
O3 O 0.3846(3) 0.2018(3) -0.3337(4) 0.0614(13) Uani 1 1 d . . . . .
O4 O 0.3315(4) 0.2972(3) -0.2076(6) 0.0672(14) Uani 1 1 d . . . . .
O7 O 0.7527(6) -0.0357(6) 0.1017(11) 0.139(4) Uani 1 1 d . . . . .
O8 O 0.4960(5) 0.5473(3) -0.1730(8) 0.097(2) Uani 1 1 d . . . . .
C1 C 0.5319(4) 0.0793(3) 0.1837(5) 0.0419(12) Uani 1 1 d . . . . .
C2 C 0.4615(5) 0.0374(3) 0.1303(6) 0.0478(14) Uani 1 1 d . . . . .
C3 C 0.3803(5) 0.0619(5) 0.1704(8) 0.068(2) Uani 1 1 d . . . . .
C4 C 0.3993(6) 0.1193(5) 0.2510(7) 0.070(2) Uani 1 1 d . . . . .
C5 C 0.4922(6) 0.1292(3) 0.2597(6) 0.0572(18) Uani 1 1 d . . . . .
C6 C 0.6287(5) 0.0691(5) 0.1704(10) 0.078(3) Uani 1 1 d . . . . .
H6A H 0.6594 0.1122 0.1866 0.094 Uiso 1 1 calc R U . . .
H6B H 0.6375 0.0559 0.0837 0.094 Uiso 1 1 calc R U . . .
C7 C 0.4736(9) -0.0249(4) 0.0504(10) 0.096(4) Uani 1 1 d . . . . .
H7A H 0.4288 -0.0255 -0.0189 0.115 Uiso 1 1 calc R U . . .
H7B H 0.4680 -0.0653 0.1011 0.115 Uiso 1 1 calc R U . . .
H7C H 0.5316 -0.0239 0.0178 0.115 Uiso 1 1 calc R U . . .
C8 C 0.2920(7) 0.0291(9) 0.1407(14) 0.141(7) Uani 1 1 d . . . . .
H8A H 0.2926 0.0050 0.0617 0.169 Uiso 1 1 calc R U . . .
H8B H 0.2466 0.0638 0.1343 0.169 Uiso 1 1 calc R U . . .
H8C H 0.2798 -0.0024 0.2070 0.169 Uiso 1 1 calc R U . . .
C9 C 0.3321(12) 0.1563(9) 0.3204(12) 0.168(9) Uani 1 1 d . . . . .
H9A H 0.3586 0.1965 0.3590 0.201 Uiso 1 1 calc R U . . .
H9B H 0.3110 0.1270 0.3849 0.201 Uiso 1 1 calc R U . . .
H9C H 0.2831 0.1693 0.2624 0.201 Uiso 1 1 calc R U . . .
C10 C 0.5404(12) 0.1804(5) 0.3445(9) 0.127(6) Uani 1 1 d . . . . .
H10A H 0.5360 0.1673 0.4314 0.152 Uiso 1 1 calc R U . . .
H10B H 0.5141 0.2248 0.3305 0.152 Uiso 1 1 calc R U . . .
H10C H 0.6020 0.1819 0.3261 0.152 Uiso 1 1 calc R U . . .
C11 C 0.6707(5) 0.0149(5) 0.2593(9) 0.079(3) Uani 1 1 d . . . . .
H11A H 0.6752 0.0324 0.3454 0.095 Uiso 1 1 calc R U . . .
H11B H 0.6330 -0.0254 0.2573 0.095 Uiso 1 1 calc R U . . .
C12 C 0.7617(7) -0.0042(9) 0.2211(14) 0.125(6) Uani 1 1 d . . . . .
H12A H 0.7986 0.0364 0.2174 0.150 Uiso 1 1 calc R U . . .
H12B H 0.7900 -0.0354 0.2828 0.150 Uiso 1 1 calc R U . . .
C13 C 0.8306(11) -0.0537(16) 0.0487(18) 0.235(16) Uani 1 1 d . . . . .
H13A H 0.8666 -0.0810 0.1079 0.282 Uiso 1 1 calc R U . . .
H13B H 0.8628 -0.0130 0.0288 0.282 Uiso 1 1 calc R U . . .
H13C H 0.8169 -0.0795 -0.0274 0.282 Uiso 1 1 calc R U . . .
C14 C 0.5779(4) 0.3343(3) -0.1039(7) 0.0488(14) Uani 1 1 d . . . . .
C15 C 0.5804(4) 0.3006(4) -0.2254(6) 0.0476(14) Uani 1 1 d . . . . .
C16 C 0.6338(4) 0.2404(3) -0.2081(6) 0.0454(13) Uani 1 1 d . . . . .
C17 C 0.6667(4) 0.2385(3) -0.0779(6) 0.0410(11) Uani 1 1 d . . . . .
C18 C 0.6329(4) 0.2959(3) -0.0138(6) 0.0447(13) Uani 1 1 d . . . . .
C19 C 0.5372(4) 0.4022(4) -0.0831(10) 0.067(2) Uani 1 1 d . . . . .
H19A H 0.5228 0.4060 0.0047 0.080 Uiso 1 1 calc R U . . .
H19B H 0.4821 0.4062 -0.1361 0.080 Uiso 1 1 calc R U . . .
C20 C 0.5406(6) 0.3245(5) -0.3492(8) 0.071(2) Uani 1 1 d . . . . .
H20A H 0.5139 0.2864 -0.3951 0.085 Uiso 1 1 calc R U . . .
H20B H 0.5862 0.3442 -0.3970 0.085 Uiso 1 1 calc R U . . .
H20C H 0.4959 0.3583 -0.3359 0.085 Uiso 1 1 calc R U . . .
C21 C 0.6597(7) 0.1936(4) -0.3112(8) 0.070(2) Uani 1 1 d . . . . .
H21A H 0.6858 0.1526 -0.2745 0.084 Uiso 1 1 calc R U . . .
H21B H 0.7022 0.2161 -0.3607 0.084 Uiso 1 1 calc R U . . .
H21C H 0.6078 0.1818 -0.3647 0.084 Uiso 1 1 calc R U . . .
C22 C 0.7342(5) 0.1889(5) -0.0231(9) 0.065(2) Uani 1 1 d . . . . .
H22A H 0.7391 0.1933 0.0675 0.079 Uiso 1 1 calc R U . . .
H22B H 0.7909 0.1983 -0.0559 0.079 Uiso 1 1 calc R U . . .
H22C H 0.7160 0.1431 -0.0457 0.079 Uiso 1 1 calc R U . . .
C23 C 0.6571(5) 0.3155(5) 0.1195(8) 0.071(2) Uani 1 1 d . . . . .
H23A H 0.7144 0.3374 0.1251 0.085 Uiso 1 1 calc R U . . .
H23B H 0.6594 0.2752 0.1718 0.085 Uiso 1 1 calc R U . . .
H23C H 0.6132 0.3465 0.1482 0.085 Uiso 1 1 calc R U . . .
C24 C 0.6013(5) 0.4615(4) -0.1149(13) 0.089(3) Uani 1 1 d . . . . .
H24A H 0.6583 0.4546 -0.0682 0.107 Uiso 1 1 calc R U . . .
H24B H 0.6110 0.4599 -0.2046 0.107 Uiso 1 1 calc R U . . .
C25 C 0.5665(7) 0.5298(4) -0.0838(13) 0.089(3) Uani 1 1 d . . . . .
H25A H 0.5453 0.5293 0.0008 0.107 Uiso 1 1 calc R U . . .
H25B H 0.6137 0.5636 -0.0857 0.107 Uiso 1 1 calc R U . . .
C26 C 0.4645(9) 0.6115(5) -0.1511(12) 0.100(3) Uani 1 1 d . . . . .
H26A H 0.5131 0.6435 -0.1464 0.120 Uiso 1 1 calc R U . . .
H26B H 0.4360 0.6118 -0.0726 0.120 Uiso 1 1 calc R U . . .
H26C H 0.4221 0.6243 -0.2191 0.120 Uiso 1 1 calc R U . . .
C27 C 0.5032(4) 0.1277(3) -0.1054(6) 0.0380(12) Uani 1 1 d . . . . .
H27A H 0.4658 0.1113 -0.1774 0.046 Uiso 1 1 calc R U . . .
H27B H 0.5590 0.1028 -0.0942 0.046 Uiso 1 1 calc R U . . .
C28 C 0.4378(5) 0.2490(3) 0.0601(7) 0.0388(10) Uani 1 1 d . . . . .
H28A H 0.4688 0.2697 0.1339 0.047 Uiso 1 1 calc R U . . .
H28B H 0.3801 0.2699 0.0393 0.047 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 0.02993(16) 0.03630(17) 0.02747(16) -0.00115(16) 0.00080(12) 0.00419(15)
Rh2 0.02853(16) 0.0417(2) 0.02834(16) 0.00056(16) -0.00413(12) -0.00277(15)
S1 0.0300(6) 0.0541(8) 0.0411(7) 0.0008(6) -0.0043(5) -0.0023(5)
S2 0.0345(6) 0.0566(8) 0.0367(6) 0.0072(6) -0.0114(5) -0.0035(6)
O1 0.060(3) 0.067(3) 0.062(3) -0.004(3) -0.011(2) -0.021(3)
O2 0.037(2) 0.086(4) 0.075(3) 0.006(3) 0.001(2) 0.009(2)
O3 0.059(3) 0.087(4) 0.036(2) 0.000(2) -0.012(2) -0.010(2)
O4 0.059(3) 0.069(3) 0.071(3) 0.012(3) -0.019(3) 0.009(2)
O7 0.091(6) 0.191(11) 0.139(8) 0.047(8) 0.044(6) 0.069(6)
O8 0.096(5) 0.067(4) 0.125(6) -0.009(4) -0.021(4) -0.004(3)
C1 0.041(3) 0.044(3) 0.040(3) 0.011(2) 0.001(2) 0.008(2)
C2 0.068(4) 0.037(3) 0.038(3) 0.007(2) 0.002(3) -0.001(3)
C3 0.048(4) 0.090(6) 0.064(5) 0.039(4) -0.006(3) 0.000(4)
C4 0.080(5) 0.089(6) 0.044(3) 0.029(4) 0.029(3) 0.044(5)
C5 0.097(5) 0.042(3) 0.030(3) 0.001(2) -0.016(3) 0.009(3)
C6 0.043(4) 0.103(6) 0.089(6) 0.057(5) 0.014(4) 0.018(4)
C7 0.171(12) 0.045(4) 0.071(5) -0.010(4) 0.009(7) -0.005(5)
C8 0.068(6) 0.194(15) 0.157(12) 0.121(12) -0.023(7) -0.053(8)
C9 0.213(17) 0.207(15) 0.095(8) 0.072(10) 0.100(10) 0.164(15)
C10 0.239(17) 0.071(6) 0.059(5) 0.000(5) -0.069(8) -0.019(8)
C11 0.051(4) 0.103(6) 0.085(6) 0.047(5) 0.012(4) 0.028(4)
C12 0.057(5) 0.188(14) 0.134(11) 0.087(11) 0.025(6) 0.056(7)
C13 0.112(12) 0.45(4) 0.147(15) 0.12(2) 0.061(11) 0.140(19)
C14 0.036(3) 0.048(3) 0.062(4) -0.008(3) -0.004(3) -0.006(2)
C15 0.038(3) 0.060(4) 0.044(3) 0.005(3) -0.004(2) -0.006(3)
C16 0.042(3) 0.054(3) 0.042(3) 0.006(3) 0.010(2) -0.013(2)
C17 0.033(2) 0.051(3) 0.040(3) 0.006(2) 0.003(2) -0.006(2)
C18 0.030(2) 0.061(3) 0.042(3) -0.003(3) -0.006(2) -0.010(2)
C19 0.035(3) 0.049(4) 0.116(7) -0.014(4) 0.002(4) -0.003(3)
C20 0.073(5) 0.079(5) 0.059(4) 0.023(4) -0.011(4) -0.016(4)
C21 0.085(6) 0.069(5) 0.059(4) -0.007(4) 0.029(4) -0.012(4)
C22 0.036(3) 0.080(5) 0.081(5) 0.022(4) 0.009(3) -0.001(3)
C23 0.037(3) 0.117(7) 0.057(4) -0.035(5) -0.007(3) -0.008(4)
C24 0.046(4) 0.063(5) 0.157(10) -0.022(6) 0.006(5) -0.003(3)
C25 0.069(5) 0.055(4) 0.141(9) -0.019(5) -0.004(6) -0.014(4)
C26 0.124(9) 0.066(5) 0.107(8) 0.003(6) -0.020(7) -0.001(6)
C27 0.040(3) 0.045(3) 0.028(3) -0.002(2) 0.003(2) -0.001(2)
C28 0.041(3) 0.039(2) 0.037(2) -0.006(3) -0.001(2) 0.002(2)
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
C27 Rh1 C28 100.0(3) . . ?
C27 Rh1 C3 124.8(3) . . ?
C28 Rh1 C3 134.9(3) . . ?
C27 Rh1 C4 155.5(2) . . ?
C28 Rh1 C4 101.2(3) . . ?
C3 Rh1 C4 37.3(4) . . ?
C27 Rh1 C2 94.7(2) . . ?
C28 Rh1 C2 157.6(2) . . ?
C3 Rh1 C2 36.7(3) . . ?
C4 Rh1 C2 61.5(3) . . ?
C27 Rh1 C1 96.1(2) . . ?
C28 Rh1 C1 123.7(2) . . ?
C3 Rh1 C1 61.9(2) . . ?
C4 Rh1 C1 61.7(2) . . ?
C2 Rh1 C1 37.0(2) . . ?
C27 Rh1 C5 128.4(3) . . ?
C28 Rh1 C5 96.5(3) . . ?
C3 Rh1 C5 61.5(3) . . ?
C4 Rh1 C5 36.6(3) . . ?
C2 Rh1 C5 61.1(2) . . ?
C1 Rh1 C5 36.7(2) . . ?
C27 Rh1 S1 84.86(17) . . ?
C28 Rh1 S1 84.6(2) . . ?
C3 Rh1 S1 93.64(19) . . ?
C4 Rh1 S1 109.2(2) . . ?
C2 Rh1 S1 113.76(18) . . ?
C1 Rh1 S1 150.76(16) . . ?
C5 Rh1 S1 145.5(2) . . ?
C27 Rh1 Rh2 50.18(17) . . ?
C28 Rh1 Rh2 50.1(2) . . ?
C3 Rh1 Rh2 175.0(3) . . ?
C4 Rh1 Rh2 147.1(3) . . ?
C2 Rh1 Rh2 139.17(19) . . ?
C1 Rh1 Rh2 116.59(15) . . ?
C5 Rh1 Rh2 120.6(2) . . ?
S1 Rh1 Rh2 86.35(4) . . ?
C28 Rh2 C27 99.6(3) . . ?
C28 Rh2 C14 100.1(2) . . ?
C27 Rh2 C14 157.0(2) . . ?
C28 Rh2 C15 134.5(3) . . ?
C27 Rh2 C15 125.6(3) . . ?
C14 Rh2 C15 38.0(3) . . ?
C28 Rh2 C16 157.5(2) . . ?
C27 Rh2 C16 95.1(2) . . ?
C14 Rh2 C16 62.7(2) . . ?
C15 Rh2 C16 37.1(2) . . ?
C28 Rh2 C18 95.9(2) . . ?
C27 Rh2 C18 128.6(2) . . ?
C14 Rh2 C18 37.1(2) . . ?
C15 Rh2 C18 62.0(2) . . ?
C16 Rh2 C18 61.6(2) . . ?
C28 Rh2 S2 84.8(2) . . ?
C27 Rh2 S2 84.48(17) . . ?
C14 Rh2 S2 109.08(16) . . ?
C15 Rh2 S2 93.46(16) . . ?
C16 Rh2 S2 113.59(17) . . ?
C18 Rh2 S2 145.87(17) . . ?
C28 Rh2 C17 123.7(2) . . ?
C27 Rh2 C17 97.4(2) . . ?
C14 Rh2 C17 61.5(2) . . ?
C15 Rh2 C17 61.2(2) . . ?
C16 Rh2 C17 36.6(2) . . ?
C18 Rh2 C17 36.3(2) . . ?
S2 Rh2 C17 150.17(15) . . ?
C28 Rh2 Rh1 50.05(16) . . ?
C27 Rh2 Rh1 49.89(17) . . ?
C14 Rh2 Rh1 146.14(19) . . ?
C15 Rh2 Rh1 175.46(19) . . ?
C16 Rh2 Rh1 139.31(17) . . ?
C18 Rh2 Rh1 120.09(16) . . ?
S2 Rh2 Rh1 86.28(4) . . ?
C17 Rh2 Rh1 117.67(14) . . ?
O2 S1 O1 115.0(4) . . ?
O2 S1 Rh1 115.6(3) . . ?
O1 S1 Rh1 114.4(2) . . ?
O2 S1 S2 108.6(3) . . ?
O1 S1 S2 106.9(2) . . ?
Rh1 S1 S2 93.55(6) . . ?
O4 S2 O3 115.3(3) . . ?
O4 S2 Rh2 115.2(2) . . ?
O3 S2 Rh2 113.9(2) . . ?
O4 S2 S1 108.1(3) . . ?
O3 S2 S1 107.9(2) . . ?
Rh2 S2 S1 93.81(6) . . ?
C13 O7 C12 116.4(15) . . ?
C26 O8 C25 111.3(8) . . ?
C5 C1 C2 106.7(6) . . ?
C5 C1 C6 126.8(7) . . ?
C2 C1 C6 126.3(7) . . ?
C5 C1 Rh1 71.7(3) . . ?
C2 C1 Rh1 70.8(3) . . ?
C6 C1 Rh1 126.2(4) . . ?
C3 C2 C1 108.9(6) . . ?
C3 C2 C7 126.0(8) . . ?
C1 C2 C7 125.0(8) . . ?
C3 C2 Rh1 71.1(4) . . ?
C1 C2 Rh1 72.2(3) . . ?
C7 C2 Rh1 125.4(5) . . ?
C2 C3 C4 107.8(7) . . ?
C2 C3 C8 125.0(11) . . ?
C4 C3 C8 127.1(11) . . ?
C2 C3 Rh1 72.2(4) . . ?
C4 C3 Rh1 71.7(4) . . ?
C8 C3 Rh1 125.3(6) . . ?
C5 C4 C3 107.7(6) . . ?
C5 C4 C9 127.6(12) . . ?
C3 C4 C9 124.5(12) . . ?
C5 C4 Rh1 72.6(4) . . ?
C3 C4 Rh1 70.9(4) . . ?
C9 C4 Rh1 126.0(6) . . ?
C4 C5 C1 108.8(6) . . ?
C4 C5 C10 124.7(10) . . ?
C1 C5 C10 126.3(10) . . ?
C4 C5 Rh1 70.8(4) . . ?
C1 C5 Rh1 71.5(3) . . ?
C10 C5 Rh1 127.7(5) . . ?
C1 C6 C11 113.8(6) . . ?
C1 C6 H6A 108.8 . . ?
C11 C6 H6A 108.8 . . ?
C1 C6 H6B 108.8 . . ?
C11 C6 H6B 108.8 . . ?
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 110.7(7) . . ?
C12 C11 H11A 109.5 . . ?
C6 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
C6 C11 H11B 109.5 . . ?
H11A C11 H11B 108.1 . . ?
O7 C12 C11 108.6(11) . . ?
O7 C12 H12A 110.0 . . ?
C11 C12 H12A 110.0 . . ?
O7 C12 H12B 110.0 . . ?
C11 C12 H12B 110.0 . . ?
H12A C12 H12B 108.4 . . ?
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 107.6(6) . . ?
C18 C14 C19 126.6(7) . . ?
C15 C14 C19 125.1(7) . . ?
C18 C14 Rh2 73.8(4) . . ?
C15 C14 Rh2 71.6(4) . . ?
C19 C14 Rh2 127.4(5) . . ?
C16 C15 C14 108.1(5) . . ?
C16 C15 C20 124.3(7) . . ?
C14 C15 C20 127.5(7) . . ?
C16 C15 Rh2 72.5(4) . . ?
C14 C15 Rh2 70.4(4) . . ?
C20 C15 Rh2 125.5(5) . . ?
C15 C16 C17 107.4(6) . . ?
C15 C16 C21 125.6(6) . . ?
C17 C16 C21 126.6(7) . . ?
C15 C16 Rh2 70.4(4) . . ?
C17 C16 Rh2 73.0(3) . . ?
C21 C16 Rh2 128.0(5) . . ?
C18 C17 C16 109.0(5) . . ?
C18 C17 C22 125.7(6) . . ?
C16 C17 C22 124.9(7) . . ?
C18 C17 Rh2 71.3(3) . . ?
C16 C17 Rh2 70.4(3) . . ?
C22 C17 Rh2 130.0(4) . . ?
C17 C18 C14 107.8(5) . . ?
C17 C18 C23 125.7(6) . . ?
C14 C18 C23 126.3(7) . . ?
C17 C18 Rh2 72.4(3) . . ?
C14 C18 Rh2 69.1(3) . . ?
C23 C18 Rh2 128.0(5) . . ?
C14 C19 C24 111.4(6) . . ?
C14 C19 H19A 109.4 . . ?
C24 C19 H19A 109.4 . . ?
C14 C19 H19B 109.4 . . ?
C24 C19 H19B 109.4 . . ?
H19A C19 H19B 108.0 . . ?
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 112.9(8) . . ?
C25 C24 H24A 109.0 . . ?
C19 C24 H24A 109.0 . . ?
C25 C24 H24B 109.0 . . ?
C19 C24 H24B 109.0 . . ?
H24A C24 H24B 107.8 . . ?
O8 C25 C24 109.3(8) . . ?
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 . . ?
Rh1 C27 Rh2 79.9(2) . . ?
Rh1 C27 H27A 115.3 . . ?
Rh2 C27 H27A 115.3 . . ?
Rh1 C27 H27B 115.3 . . ?
Rh2 C27 H27B 115.3 . . ?
H27A C27 H27B 112.3 . . ?
Rh1 C28 Rh2 79.8(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 C27 2.048(6) . ?
Rh1 C28 2.053(6) . ?
Rh1 C3 2.221(8) . ?
Rh1 C4 2.231(6) . ?
Rh1 C2 2.234(6) . ?
Rh1 C1 2.252(5) . ?
Rh1 C5 2.255(6) . ?
Rh1 S1 2.2928(13) . ?
Rh1 Rh2 2.6363(5) . ?
Rh2 C28 2.055(7) . ?
Rh2 C27 2.057(6) . ?
Rh2 C14 2.216(6) . ?
Rh2 C15 2.231(7) . ?
Rh2 C16 2.260(6) . ?
Rh2 C18 2.278(5) . ?
Rh2 S2 2.2893(12) . ?
Rh2 C17 2.293(5) . ?
S1 O2 1.446(6) . ?
S1 O1 1.450(5) . ?
S1 S2 2.342(2) . ?
S2 O4 1.452(6) . ?
S2 O3 1.454(5) . ?
O7 C13 1.379(15) . ?
O7 C12 1.402(19) . ?
O8 C26 1.365(12) . ?
O8 C25 1.411(13) . ?
C1 C5 1.420(9) . ?
C1 C2 1.423(9) . ?
C1 C6 1.486(9) . ?
C2 C3 1.402(11) . ?
C2 C7 1.500(10) . ?
C3 C4 1.424(14) . ?
C3 C8 1.488(13) . ?
C4 C5 1.407(13) . ?
C4 C9 1.477(11) . ?
C5 C10 1.496(11) . ?
C6 C11 1.522(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 1.501(12) . ?
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 1.430(9) . ?
C14 C15 1.447(10) . ?
C14 C19 1.482(10) . ?
C15 C16 1.428(10) . ?
C15 C20 1.476(10) . ?
C16 C17 1.430(9) . ?
C16 C21 1.494(10) . ?
C17 C18 1.423(9) . ?
C17 C22 1.489(10) . ?
C18 C23 1.481(9) . ?
C19 C24 1.558(12) . ?
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 1.478(12) . ?
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
C5 C1 C2 C3 1.2(7) . . . . ?
C6 C1 C2 C3 176.7(6) . . . . ?
Rh1 C1 C2 C3 -62.0(5) . . . . ?
C5 C1 C2 C7 -175.6(7) . . . . ?
C6 C1 C2 C7 -0.2(10) . . . . ?
Rh1 C1 C2 C7 121.2(7) . . . . ?
C5 C1 C2 Rh1 63.2(4) . . . . ?
C6 C1 C2 Rh1 -121.3(6) . . . . ?
C1 C2 C3 C4 -0.6(8) . . . . ?
C7 C2 C3 C4 176.1(7) . . . . ?
Rh1 C2 C3 C4 -63.3(5) . . . . ?
C1 C2 C3 C8 -176.3(7) . . . . ?
C7 C2 C3 C8 0.5(12) . . . . ?
Rh1 C2 C3 C8 121.1(8) . . . . ?
C1 C2 C3 Rh1 62.7(4) . . . . ?
C7 C2 C3 Rh1 -120.6(7) . . . . ?
C2 C3 C4 C5 -0.2(8) . . . . ?
C8 C3 C4 C5 175.3(8) . . . . ?
Rh1 C3 C4 C5 -63.8(5) . . . . ?
C2 C3 C4 C9 -175.2(7) . . . . ?
C8 C3 C4 C9 0.3(13) . . . . ?
Rh1 C3 C4 C9 121.2(8) . . . . ?
C2 C3 C4 Rh1 63.6(5) . . . . ?
C8 C3 C4 Rh1 -120.9(8) . . . . ?
C3 C4 C5 C1 0.9(7) . . . . ?
C9 C4 C5 C1 175.8(8) . . . . ?
Rh1 C4 C5 C1 -61.7(4) . . . . ?
C3 C4 C5 C10 -174.2(7) . . . . ?
C9 C4 C5 C10 0.6(12) . . . . ?
Rh1 C4 C5 C10 123.1(7) . . . . ?
C3 C4 C5 Rh1 62.7(5) . . . . ?
C9 C4 C5 Rh1 -122.5(9) . . . . ?
C2 C1 C5 C4 -1.3(7) . . . . ?
C6 C1 C5 C4 -176.8(6) . . . . ?
Rh1 C1 C5 C4 61.3(4) . . . . ?
C2 C1 C5 C10 173.7(7) . . . . ?
C6 C1 C5 C10 -1.7(11) . . . . ?
Rh1 C1 C5 C10 -123.7(8) . . . . ?
C2 C1 C5 Rh1 -62.6(4) . . . . ?
C6 C1 C5 Rh1 122.0(6) . . . . ?
C5 C1 C6 C11 94.5(10) . . . . ?
C2 C1 C6 C11 -80.0(11) . . . . ?
Rh1 C1 C6 C11 -171.9(7) . . . . ?
C1 C6 C11 C12 167.0(11) . . . . ?
C13 O7 C12 C11 176.9(15) . . . . ?
C6 C11 C12 O7 -65.0(15) . . . . ?
C18 C14 C15 C16 2.3(7) . . . . ?
C19 C14 C15 C16 173.5(6) . . . . ?
Rh2 C14 C15 C16 -63.2(4) . . . . ?
C18 C14 C15 C20 -174.2(7) . . . . ?
C19 C14 C15 C20 -3.0(11) . . . . ?
Rh2 C14 C15 C20 120.3(7) . . . . ?
C18 C14 C15 Rh2 65.6(4) . . . . ?
C19 C14 C15 Rh2 -123.3(6) . . . . ?
C14 C15 C16 C17 -2.2(7) . . . . ?
C20 C15 C16 C17 174.5(6) . . . . ?
Rh2 C15 C16 C17 -64.0(4) . . . . ?
C14 C15 C16 C21 -174.9(6) . . . . ?
C20 C15 C16 C21 1.8(11) . . . . ?
Rh2 C15 C16 C21 123.3(7) . . . . ?
C14 C15 C16 Rh2 61.9(5) . . . . ?
C20 C15 C16 Rh2 -121.5(7) . . . . ?
C15 C16 C17 C18 1.2(7) . . . . ?
C21 C16 C17 C18 173.8(6) . . . . ?
Rh2 C16 C17 C18 -61.1(4) . . . . ?
C15 C16 C17 C22 -172.0(6) . . . . ?
C21 C16 C17 C22 0.6(10) . . . . ?
Rh2 C16 C17 C22 125.7(6) . . . . ?
C15 C16 C17 Rh2 62.3(4) . . . . ?
C21 C16 C17 Rh2 -125.1(7) . . . . ?
C16 C17 C18 C14 0.2(7) . . . . ?
C22 C17 C18 C14 173.4(6) . . . . ?
Rh2 C17 C18 C14 -60.4(4) . . . . ?
C16 C17 C18 C23 -174.8(6) . . . . ?
C22 C17 C18 C23 -1.6(10) . . . . ?
Rh2 C17 C18 C23 124.6(7) . . . . ?
C16 C17 C18 Rh2 60.6(4) . . . . ?
C22 C17 C18 Rh2 -126.3(6) . . . . ?
C15 C14 C18 C17 -1.6(7) . . . . ?
C19 C14 C18 C17 -172.6(6) . . . . ?
Rh2 C14 C18 C17 62.5(4) . . . . ?
C15 C14 C18 C23 173.4(6) . . . . ?
C19 C14 C18 C23 2.4(11) . . . . ?
Rh2 C14 C18 C23 -122.5(7) . . . . ?
C15 C14 C18 Rh2 -64.1(4) . . . . ?
C19 C14 C18 Rh2 124.9(7) . . . . ?
C18 C14 C19 C24 88.4(11) . . . . ?
C15 C14 C19 C24 -81.1(9) . . . . ?
Rh2 C14 C19 C24 -174.1(7) . . . . ?
C14 C19 C24 C25 -174.5(9) . . . . ?
C26 O8 C25 C24 -177.3(10) . . . . ?
C19 C24 C25 O8 -73.1(13) . . . . ?