#------------------------------------------------------------------------------
#$Date: 2022-02-04 21:33:56 +0200 (Fri, 04 Feb 2022) $
#$Revision: 272658 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/89/7708925.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_7708925
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 93.806(3)
_cell_angle_gamma 90.0000
_cell_formula_units_Z 4
_cell_length_a 15.0178(5)
_cell_length_b 19.5152(7)
_cell_length_c 10.5665(3)
_cell_measurement_reflns_used 8211
_cell_measurement_temperature 296
_cell_measurement_theta_max 31.43
_cell_measurement_theta_min 2.74
_cell_volume 3089.95(18)
_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 0.898
_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 0.0297
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.898
_diffrn_reflns_limit_h_max 21
_diffrn_reflns_limit_h_min -20
_diffrn_reflns_limit_k_max 26
_diffrn_reflns_limit_k_min -28
_diffrn_reflns_limit_l_max 14
_diffrn_reflns_limit_l_min -14
_diffrn_reflns_number 16536
_diffrn_reflns_point_group_measured_fraction_full 0.922
_diffrn_reflns_point_group_measured_fraction_max 0.791
_diffrn_reflns_theta_full 25.242
_diffrn_reflns_theta_max 31.283
_diffrn_reflns_theta_min 2.719
_diffrn_standards_number 0
_exptl_absorpt_coefficient_mu 1.239
_exptl_absorpt_correction_T_max 0.883
_exptl_absorpt_correction_T_min 0.843
_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 1.609
_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 0.58
_refine_diff_density_min -0.68
_refine_ls_abs_structure_details
;
Flack x determined using 3058 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack -0.01(2)
_refine_ls_extinction_method none
_refine_ls_goodness_of_fit_ref 1.043
_refine_ls_hydrogen_treatment constr
_refine_ls_number_parameters 353
_refine_ls_number_reflns 7972
_refine_ls_number_restraints 2
_refine_ls_R_factor_all 0.0320
_refine_ls_R_factor_gt 0.0280
_refine_ls_shift/su_max 0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0390P)^2^+1.3574P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme calc
_refine_ls_wR_factor_gt 0.0716
_refine_ls_wR_factor_ref 0.0737
_reflns_Friedel_coverage 0.759
_reflns_Friedel_fraction_full 0.846
_reflns_Friedel_fraction_max 0.683
_reflns_number_gt 7446
_reflns_number_total 7972
_reflns_threshold_expression F^2^>2.0\s(F^2^)
_cod_data_source_file d1dt03347f2.cif
_cod_data_source_block sample1
_cod_depositor_comments
'Adding full bibliography for 7708925--7708931.cif.'
_cod_database_code 7708925
_shelx_res_file
;
shelxl.res created by SHELXL-2014/7
TITL sample1
CELL 0.71075 15.01780 19.51520 10.56650 90.00000 93.80600 90.00000
ZERR 4 0.00050 0.00070 0.00030 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 0.039000 1.357400
FVAR 0.20905
RH1 3 0.438787 0.143647 0.559899 11.00000 0.02595 0.03397 =
0.02606 -0.00075 0.00069 0.00321
RH2 3 0.514083 0.232136 0.412310 11.00000 0.02450 0.03849 =
0.02724 0.00058 -0.00376 -0.00260
S1 4 0.313657 0.155307 0.425451 11.00000 0.02606 0.04966 =
0.03933 0.00155 -0.00424 -0.00275
S2 4 0.380899 0.233347 0.293965 11.00000 0.03014 0.05262 =
0.03542 0.00729 -0.01137 -0.00379
O1 5 0.290837 0.095043 0.349923 11.00000 0.05374 0.06251 =
0.06196 -0.00077 -0.01260 -0.01936
O2 5 0.238268 0.188670 0.479058 11.00000 0.02968 0.08302 =
0.07527 0.00733 0.00316 0.00763
O3 5 0.384421 0.201628 0.169136 11.00000 0.05329 0.08543 =
0.03470 0.00069 -0.01213 -0.01363
O4 5 0.331881 0.297560 0.295733 11.00000 0.05233 0.06121 =
0.06961 0.01370 -0.01632 0.01014
O7 5 0.753068 -0.035416 0.605875 11.00000 0.08677 0.16918 =
0.12344 0.04324 0.03956 0.06014
O8 5 0.496174 0.547420 0.330019 11.00000 0.08240 0.06382 =
0.10896 -0.01255 -0.01641 0.00139
C1 1 0.531394 0.079007 0.687205 11.00000 0.03528 0.04287 =
0.03929 0.00986 -0.00027 0.00864
C2 1 0.461085 0.037310 0.633094 11.00000 0.06427 0.03536 =
0.03562 0.00620 0.00370 -0.00362
C3 1 0.379764 0.061786 0.673183 11.00000 0.04341 0.08173 =
0.05432 0.03649 -0.00221 -0.00462
C4 1 0.398500 0.119038 0.754342 11.00000 0.06754 0.08946 =
0.03955 0.02467 0.02172 0.04188
C5 1 0.491704 0.129541 0.763775 11.00000 0.08868 0.04127 =
0.02685 0.00473 -0.01416 0.00727
C6 1 0.628728 0.069420 0.674932 11.00000 0.03714 0.09788 =
0.08448 0.04888 0.01309 0.02105
AFIX 23
H6A 2 0.658998 0.112617 0.692607 11.00000 -1.20000
H6B 2 0.638434 0.056795 0.588132 11.00000 -1.20000
AFIX 0
C7 1 0.474036 -0.025216 0.553443 11.00000 0.17516 0.04207 =
0.06487 -0.00861 0.00968 -0.01085
AFIX 137
H7A 2 0.429968 -0.025783 0.483349 11.00000 -1.20000
H7B 2 0.467865 -0.065574 0.604067 11.00000 -1.20000
H7C 2 0.532550 -0.024248 0.522015 11.00000 -1.20000
AFIX 0
C8 1 0.291714 0.028304 0.640718 11.00000 0.06318 0.17091 =
0.14014 0.10548 -0.02701 -0.05154
AFIX 137
H8A 2 0.274863 0.001602 0.711593 11.00000 -1.20000
H8B 2 0.296351 -0.001017 0.568501 11.00000 -1.20000
H8C 2 0.247360 0.062817 0.621201 11.00000 -1.20000
AFIX 0
C9 1 0.330184 0.156391 0.824954 11.00000 0.18293 0.17544 =
0.08844 0.06093 0.08905 0.13354
AFIX 137
H9A 2 0.348083 0.203312 0.836669 11.00000 -1.20000
H9B 2 0.325130 0.135218 0.906170 11.00000 -1.20000
H9C 2 0.273542 0.154591 0.777291 11.00000 -1.20000
AFIX 0
C10 1 0.540212 0.179425 0.847854 11.00000 0.21221 0.05627 =
0.05837 -0.00243 -0.06017 -0.01372
AFIX 137
H10A 2 0.548395 0.160726 0.931854 11.00000 -1.20000
H10B 2 0.506391 0.221096 0.850227 11.00000 -1.20000
H10C 2 0.597376 0.188875 0.816126 11.00000 -1.20000
AFIX 0
C11 1 0.669740 0.014810 0.763672 11.00000 0.04496 0.10096 =
0.08291 0.04730 0.01037 0.02589
AFIX 23
H11A 2 0.674071 0.031955 0.850026 11.00000 -1.20000
H11B 2 0.631947 -0.025543 0.760792 11.00000 -1.20000
AFIX 0
C12 1 0.762053 -0.004076 0.724100 11.00000 0.04961 0.14880 =
0.11989 0.06499 0.01668 0.04512
AFIX 23
H12A 2 0.798532 0.036774 0.719864 11.00000 -1.20000
H12B 2 0.790923 -0.035076 0.785755 11.00000 -1.20000
AFIX 0
C13 1 0.831434 -0.052524 0.552916 11.00000 0.09308 0.38865 =
0.12137 0.09132 0.04347 0.10937
AFIX 137
H13A 2 0.867429 -0.080108 0.611569 11.00000 -1.20000
H13B 2 0.863331 -0.011522 0.534163 11.00000 -1.20000
H13C 2 0.818163 -0.077867 0.476104 11.00000 -1.20000
AFIX 0
C14 1 0.578010 0.334379 0.399669 11.00000 0.02853 0.04238 =
0.05827 -0.00648 0.00015 -0.00646
C15 1 0.580380 0.300320 0.278833 11.00000 0.03482 0.05319 =
0.04030 0.00721 -0.00397 -0.00878
C16 1 0.634443 0.240076 0.295818 11.00000 0.03838 0.04667 =
0.03878 0.00317 0.00602 -0.00802
C17 1 0.666698 0.238148 0.426207 11.00000 0.02553 0.05172 =
0.04526 0.00316 -0.00034 -0.00481
C18 1 0.632599 0.295745 0.490403 11.00000 0.02429 0.05495 =
0.04100 -0.00444 -0.00276 -0.00719
C19 1 0.537010 0.402118 0.419738 11.00000 0.02951 0.04643 =
0.10512 -0.01113 0.00403 -0.00179
AFIX 23
H19A 2 0.521369 0.405813 0.507080 11.00000 -1.20000
H19B 2 0.482626 0.406285 0.365414 11.00000 -1.20000
AFIX 0
C20 1 0.540873 0.324538 0.152811 11.00000 0.06144 0.07346 =
0.05405 0.02653 -0.00499 -0.01705
AFIX 137
H20A 2 0.505006 0.288736 0.113441 11.00000 -1.20000
H20B 2 0.587915 0.336293 0.099523 11.00000 -1.20000
H20C 2 0.504376 0.364106 0.164702 11.00000 -1.20000
AFIX 0
C21 1 0.660080 0.192786 0.192254 11.00000 0.07434 0.06918 =
0.05907 -0.00923 0.02971 -0.01157
AFIX 137
H21A 2 0.707737 0.212902 0.148723 11.00000 -1.20000
H21B 2 0.609493 0.185485 0.133389 11.00000 -1.20000
H21C 2 0.679406 0.149728 0.228418 11.00000 -1.20000
AFIX 0
C22 1 0.734404 0.187917 0.480641 11.00000 0.03132 0.06785 =
0.07805 0.02585 0.00546 0.00055
AFIX 137
H22A 2 0.715351 0.142175 0.459156 11.00000 -1.20000
H22B 2 0.740277 0.192749 0.571224 11.00000 -1.20000
H22C 2 0.790934 0.196662 0.446395 11.00000 -1.20000
AFIX 0
C23 1 0.656378 0.315259 0.624399 11.00000 0.03335 0.10593 =
0.05266 -0.02972 -0.00667 -0.00926
AFIX 137
H23A 2 0.712170 0.339438 0.629537 11.00000 -1.20000
H23B 2 0.661717 0.274713 0.675789 11.00000 -1.20000
H23C 2 0.610602 0.344227 0.654400 11.00000 -1.20000
AFIX 0
C24 1 0.601308 0.460674 0.390187 11.00000 0.04125 0.05549 =
0.15009 -0.02083 0.01464 -0.00692
AFIX 23
H24A 2 0.657555 0.453477 0.438944 11.00000 -1.20000
H24B 2 0.612957 0.458516 0.301073 11.00000 -1.20000
AFIX 0
C25 1 0.567399 0.531084 0.418796 11.00000 0.06239 0.04940 =
0.12466 -0.01600 -0.00425 -0.00977
AFIX 23
H25A 2 0.547082 0.532278 0.504012 11.00000 -1.20000
H25B 2 0.614990 0.564373 0.413672 11.00000 -1.20000
AFIX 0
C26 1 0.465604 0.611946 0.353325 11.00000 0.11808 0.06450 =
0.09395 -0.00003 -0.01946 0.00306
AFIX 137
H26A 2 0.515154 0.643013 0.362963 11.00000 -1.20000
H26B 2 0.434403 0.611607 0.429729 11.00000 -1.20000
H26C 2 0.425808 0.626493 0.283635 11.00000 -1.20000
AFIX 0
C27 1 0.503131 0.127604 0.396907 11.00000 0.03383 0.04147 =
0.02683 -0.00296 0.00335 0.00142
AFIX 23
H27A 2 0.558902 0.102559 0.407851 11.00000 -1.20000
H27B 2 0.465648 0.111310 0.324843 11.00000 -1.20000
AFIX 0
C28 1 0.437776 0.248586 0.562946 11.00000 0.03611 0.03693 =
0.03778 -0.00422 0.00130 -0.00002
AFIX 23
H28A 2 0.380136 0.269612 0.542092 11.00000 -1.20000
H28B 2 0.468783 0.269358 0.636736 11.00000 -1.20000
AFIX 0
HKLF 4
REM sample1
REM R1 = 0.0280 for 7446 Fo > 4sig(Fo) and 0.0320 for all 7972 data
REM 353 parameters refined using 2 restraints
END
WGHT 0.0390 1.3574
REM No hydrogen bonds found for HTAB generation
REM Highest difference peak 0.577, deepest hole -0.679, 1-sigma level 0.073
Q1 1 0.4857 0.2556 0.4580 11.00000 0.05 0.58
Q2 1 0.4978 0.2680 0.3766 11.00000 0.05 0.53
Q3 1 0.5308 0.2004 0.4519 11.00000 0.05 0.51
Q4 1 0.4586 0.1746 0.6019 11.00000 0.05 0.51
Q5 1 0.4989 0.1996 0.3801 11.00000 0.05 0.50
;
_shelx_res_checksum 39497
_shelx_hkl_file
;
0 0 2 976.23 35.47
0 0 -2 1053.27 37.30
0 0 -2 993.60 37.35
0 0 3 0.34 0.40
0 0 3 -0.05 0.49
0 0 -3 0.79 0.61
0 0 4 700.89 26.00
0 0 4 718.39 26.06
0 0 -4 700.16 25.90
0 0 5 -0.29 0.73
0 0 5 0.59 0.58
0 0 -5 -0.78 0.92
0 0 6 1191.54 43.84
0 0 6 1204.14 43.92
0 0 -6 1131.95 41.80
0 0 7 -0.12 1.07
0 0 7 -1.46 1.14
0 0 -7 -0.94 1.39
0 0 8 1599.40 57.33
0 0 8 1526.14 57.40
0 0 -8 1621.87 59.81
0 0 9 -0.79 1.17
0 0 9 -2.05 1.46
0 0 -9 -0.40 1.54
0 0 10 -0.67 1.48
0 0 10 0.07 1.20
0 0 -10 1.49 1.62
0 0 11 -0.18 1.01
0 0 11 -1.95 1.58
0 0 11 -1.26 1.63
0 0 -11 -0.13 1.72
0 0 12 145.97 6.42
0 0 12 170.95 7.10
0 0 13 1.78 1.91
0 0 13 -1.21 1.24
0 0 13 -0.88 1.26
0 2 -2 2178.51 79.06
0 -2 -2 2187.60 79.12
0 -2 3 110.37 4.34
0 2 3 108.63 4.40
0 2 -3 134.01 5.18
0 2 -3 130.88 5.19
0 -2 4 140.02 5.68
0 2 4 149.87 5.78
0 2 -4 140.34 5.76
0 2 -4 147.82 5.71
0 2 5 590.30 21.64
0 2 5 574.44 21.66
0 -2 5 566.28 21.39
0 -2 5 607.23 21.62
0 2 -5 608.55 21.67
0 2 -5 578.85 21.76
0 -2 -5 554.61 21.83
0 -2 6 452.46 17.04
0 2 6 450.51 17.28
0 -2 6 480.63 17.28
0 2 6 453.09 17.32
0 -2 -6 407.35 16.29
0 2 -6 426.28 16.23
0 2 -6 436.98 16.08
0 -2 7 444.61 16.17
0 2 7 411.02 16.44
0 2 7 427.52 16.42
0 -2 7 434.58 16.38
0 -2 -7 444.95 17.32
0 2 -7 450.16 17.25
0 2 8 674.15 24.25
0 -2 8 660.96 23.94
0 2 8 607.73 23.67
0 2 8 662.83 24.22
0 -2 8 651.30 24.19
0 2 -8 671.64 25.45
0 -2 -8 670.90 25.57
0 2 9 259.75 9.82
0 -2 9 248.06 9.46
0 2 9 262.39 9.84
0 -2 9 267.93 9.84
0 2 -9 254.70 10.72
0 -2 -9 264.73 10.91
0 -2 10 125.57 5.40
0 2 10 122.39 5.41
0 -2 10 118.93 5.06
0 2 10 124.30 5.43
0 -2 -10 128.67 6.37
0 2 -10 132.28 6.26
0 2 11 50.99 3.25
0 2 11 55.48 3.32
0 2 11 44.85 2.38
0 -2 11 60.22 3.00
0 2 11 48.79 2.38
0 2 -11 63.23 4.00
0 2 12 43.87 2.28
0 2 12 46.76 2.24
0 2 13 59.87 3.62
0 -2 13 61.21 3.20
0 2 14 60.54 3.97
0 -4 0 288.36 11.22
0 4 0 320.54 11.26
0 -4 1 737.70 26.83
0 4 -1 741.41 27.12
0 -4 2 681.10 24.40
0 4 2 647.44 24.42
0 -4 3 2036.72 72.34
0 4 3 1933.01 72.46
0 4 -3 2052.60 74.56
0 4 4 596.05 22.23
0 4 -4 620.98 22.62
0 4 -4 600.92 22.56
0 4 5 588.69 22.05
0 4 -5 576.64 21.30
0 4 -5 565.94 21.28
0 4 6 402.11 15.57
0 -4 6 406.47 15.00
0 4 -6 409.74 15.44
0 4 -6 398.56 15.35
0 4 7 464.10 17.42
0 4 7 429.68 17.24
0 -4 7 459.75 16.79
0 4 -7 452.48 16.79
0 4 -7 455.19 16.67
0 -4 8 238.24 5.66
0 4 8 229.20 6.44
0 4 8 238.37 6.66
0 4 -8 232.31 9.66
0 -4 -8 241.11 9.95
0 4 -8 234.33 9.52
0 4 9 52.64 2.90
0 4 9 61.62 3.10
0 -4 9 54.01 2.30
0 4 -9 67.12 3.78
0 4 10 437.12 17.14
0 4 10 442.14 17.24
0 -4 10 439.48 16.54
0 4 -10 466.72 18.31
0 4 11 8.43 1.90
0 4 11 8.19 2.20
0 4 -11 14.29 2.28
0 4 12 26.16 2.58
0 4 -12 24.54 2.75
0 4 13 36.87 3.13
0 4 14 -2.13 2.27
0 6 0 56.86 2.61
0 -6 0 63.41 2.63
0 6 1 643.37 24.56
0 -6 1 681.55 24.39
0 6 -1 639.52 23.62
0 -6 2 1293.04 45.50
0 6 2 1198.79 45.43
0 -6 2 1247.07 45.19
0 6 -2 1304.76 47.65
0 -6 3 880.38 31.38
0 6 3 822.60 31.41
0 -6 -3 712.47 25.88
0 6 4 419.92 15.52
0 -6 4 423.35 15.34
0 6 -4 433.62 16.33
0 6 5 739.19 29.43
0 -6 5 844.61 29.32
0 6 5 777.61 29.51
0 6 -5 787.06 29.93
0 6 -5 842.45 30.09
0 6 6 25.85 2.41
0 -6 6 21.70 1.08
0 6 6 28.66 2.15
0 6 -6 24.61 1.74
0 6 -6 26.58 1.81
0 -6 7 19.84 1.05
0 6 7 21.05 2.03
0 6 -7 24.19 1.89
0 6 -7 21.59 1.80
0 6 8 112.57 5.20
0 -6 8 101.78 4.11
0 6 -8 109.76 4.98
0 6 -8 105.13 4.99
0 6 9 283.41 11.25
0 6 9 288.93 11.47
0 -6 9 270.63 10.36
0 6 -9 293.40 12.00
0 6 -9 299.40 11.90
0 6 10 247.23 10.53
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10 4 -2 10.71 1.84
10 -4 -2 11.06 1.97
-10 4 2 11.08 1.25
-10 4 2 13.53 1.87
10 4 -1 542.50 20.35
10 -4 -1 534.45 20.66
-10 4 1 563.80 20.56
-10 4 1 514.41 20.11
10 4 0 306.30 12.01
10 4 0 287.20 12.03
10 -4 0 312.42 12.18
-10 -4 0 327.12 12.92
-10 4 0 300.35 12.71
-10 4 0 324.40 12.46
10 4 1 115.66 5.45
10 4 1 122.43 5.71
-10 4 -1 114.14 5.20
-10 -4 -1 114.57 5.70
10 4 2 698.19 25.76
10 4 2 658.90 25.61
-10 4 -2 647.84 23.58
-10 -4 -2 638.81 23.69
10 4 3 96.74 5.44
10 -4 3 104.40 5.53
10 -4 3 101.35 4.94
10 4 3 96.06 4.77
-10 4 -3 90.23 4.70
-10 4 -3 98.47 5.27
10 4 4 90.73 5.32
10 4 4 89.47 4.40
10 -4 4 82.27 4.50
10 -4 4 86.00 5.23
-10 4 -4 85.80 4.55
-10 -4 -4 85.25 5.22
10 4 5 315.11 12.75
10 4 5 327.74 13.37
10 -4 5 317.51 13.33
-10 -4 -5 319.19 13.14
10 4 6 93.13 6.19
10 4 6 108.82 5.05
-10 -4 -6 112.45 6.17
10 4 7 77.95 4.16
-10 -4 -7 72.85 4.19
10 4 8 319.55 12.85
10 -4 8 322.18 13.94
-10 -4 -8 307.28 12.15
-10 4 -8 284.84 11.35
10 4 9 4.36 4.24
10 4 9 3.66 1.50
10 -4 9 0.60 3.99
-10 4 -9 4.34 1.10
-10 -4 -9 3.18 1.65
-10 -4 -9 5.80 2.22
10 4 10 65.16 3.70
10 4 10 53.69 5.79
10 -4 10 63.35 4.09
-10 -4 -10 58.34 4.44
-10 -4 -10 60.19 3.83
10 -4 11 37.69 3.33
10 4 11 42.90 5.73
10 4 11 39.69 2.83
-10 4 -11 36.86 3.75
-10 -4 -11 38.33 3.20
10 -4 12 -0.27 2.33
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-10 -6 11 68.97 4.22
-10 6 11 63.21 5.84
-10 6 10 46.33 4.65
-10 -6 10 43.75 3.48
-10 6 10 34.52 2.44
-10 -6 10 41.85 2.90
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10 -6 -7 67.15 3.46
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10 -6 -6 111.78 5.14
-10 -6 6 101.62 5.27
-10 6 6 111.63 4.77
10 6 -5 123.34 5.33
10 6 -5 145.02 5.41
-10 6 5 214.55 8.73
-10 6 5 248.10 9.47
-10 -6 5 235.98 9.81
10 6 -4 302.12 11.58
10 -6 -4 313.41 12.19
-10 -6 4 317.20 12.91
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10 -6 -3 342.69 13.66
10 -6 -3 351.48 13.43
10 6 -3 343.73 13.18
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10 -6 -2 4.63 1.31
10 -6 -2 4.37 2.21
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10 -6 -1 70.38 4.04
10 -6 -1 67.30 3.74
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-10 6 1 72.59 3.96
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10 6 0 294.56 11.73
10 -6 0 286.52 11.81
10 -6 0 302.92 11.88
10 6 0 285.20 11.74
-10 -6 0 286.89 11.70
-10 6 0 283.82 11.62
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10 -6 1 228.47 9.98
10 6 1 247.46 9.93
10 6 1 247.73 10.10
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-10 -6 -1 253.85 10.55
10 6 2 141.63 6.67
10 6 2 138.04 6.24
-10 -6 -2 146.46 7.01
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10 6 3 245.69 10.44
10 6 3 239.97 9.96
-10 -6 -3 233.05 9.86
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10 6 4 121.92 5.53
10 6 4 114.15 6.42
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10 6 5 17.58 3.70
10 6 5 20.02 1.94
-10 -6 -5 18.57 3.37
10 -6 6 70.38 4.19
10 6 6 63.24 5.31
10 6 6 70.28 3.79
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10 6 7 182.93 7.79
10 -6 7 177.87 8.27
-10 -6 -7 192.85 8.29
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-10 -6 -7 182.46 8.40
10 6 8 124.96 5.72
10 -6 8 122.14 6.28
-10 6 -8 110.84 4.75
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10 6 9 55.09 5.68
10 6 9 63.17 3.46
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-10 -6 -9 55.85 4.37
-10 -6 -9 70.09 4.17
10 6 10 45.24 2.89
10 6 10 47.11 5.51
-10 -6 -10 46.89 3.48
-10 -6 -10 44.59 3.91
10 6 11 25.30 5.40
-10 -6 -11 25.51 3.47
-10 -6 -11 16.89 2.69
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-10 8 12 0.70 4.74
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-10 8 11 97.66 7.05
-10 -8 11 94.01 5.74
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-10 -8 9 8.40 1.62
10 -8 -8 181.67 7.50
-10 8 8 172.43 7.44
-10 -8 8 181.15 7.39
-10 -8 8 184.14 8.48
10 -8 -7 39.04 2.46
-10 -8 7 41.02 2.44
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10 -8 -6 57.48 3.18
-10 -8 6 57.95 4.22
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-10 -8 6 52.87 2.75
10 -8 -5 324.59 10.63
10 8 -5 233.15 9.71
-10 8 5 320.64 12.68
-10 -8 5 317.29 13.24
10 -8 -4 28.22 2.20
10 8 -4 23.74 1.61
-10 -8 4 20.74 3.26
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10 -8 -3 150.54 6.69
10 -8 -3 146.15 6.59
-10 8 3 131.95 5.83
-10 8 3 141.52 6.22
10 -8 -2 273.14 11.12
10 -8 -2 271.54 11.08
-10 8 2 262.86 10.79
-10 -8 2 254.46 11.11
-10 8 2 265.12 10.46
10 -8 -1 184.91 7.80
10 -8 -1 171.95 7.94
-10 -8 1 170.60 7.93
-10 8 1 167.45 7.37
-10 8 1 185.03 7.71
10 -8 0 67.83 4.26
10 -8 0 65.16 3.66
10 8 0 60.86 3.54
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-10 -8 0 67.14 4.52
10 8 1 191.30 8.25
10 -8 1 199.05 8.83
-10 8 -1 218.48 8.97
-10 -8 -1 201.21 9.27
10 8 2 5.46 1.37
10 -8 2 7.25 3.18
-10 -8 -2 7.16 3.04
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10 8 3 216.78 9.02
-10 -8 -3 225.52 9.89
-10 8 -3 225.53 9.67
10 8 4 290.98 11.68
10 8 4 295.70 12.53
10 -8 4 287.01 12.14
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-10 -8 -4 295.86 12.17
10 -8 5 2.88 1.83
10 8 5 -1.10 3.68
10 8 5 2.08 1.46
-10 -8 -5 2.40 3.23
10 8 6 285.14 12.60
10 8 6 280.28 11.45
10 -8 6 292.42 12.15
-10 -8 -6 263.93 11.55
-10 -8 -6 281.81 11.68
-10 -8 -6 280.80 11.65
10 -8 7 201.62 8.75
10 8 7 178.73 7.88
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-10 -8 -7 181.60 8.52
-10 -8 -7 199.66 8.71
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10 -8 8 -2.13 2.13
10 8 8 1.89 1.40
-10 -8 -8 -1.58 2.35
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10 8 9 69.26 6.20
10 8 9 71.04 3.62
10 -8 9 60.49 4.46
-10 -8 -9 66.76 4.42
-10 8 -9 74.42 4.81
-10 -8 -9 71.99 4.89
10 -8 10 21.96 2.96
10 8 10 26.47 2.05
10 8 10 26.45 5.20
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-10 -8 -10 29.89 3.49
-10 8 -10 30.98 3.40
10 8 11 20.19 5.29
10 -8 11 13.79 2.65
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10 -10 -8 144.60 6.13
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10 10 -7 57.39 2.80
10 -10 -7 89.55 3.65
-10 -10 7 85.87 3.77
-10 -10 7 95.97 5.81
10 -10 -6 78.54 3.91
-10 -10 6 94.54 5.45
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10 -10 -5 22.17 1.90
10 10 -5 16.89 1.45
-10 -10 5 15.06 3.41
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10 -10 -4 156.11 6.78
10 10 -4 149.99 6.32
10 -10 -3 197.63 8.51
10 -10 -3 188.16 8.28
10 -10 -2 431.31 16.68
10 -10 -2 414.28 16.55
-10 -10 2 422.75 16.69
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10 -10 -1 107.24 5.83
10 -10 -1 100.80 5.08
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10 -10 0 195.34 9.00
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10 -10 1 39.30 2.85
10 -10 1 37.03 3.85
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10 -10 2 94.92 5.06
10 -10 2 98.99 5.82
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10 10 3 47.42 3.03
10 -10 3 52.53 4.81
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10 10 4 342.35 13.68
10 -10 4 350.91 14.60
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10 -10 5 281.39 11.74
10 -10 5 270.84 12.13
10 10 5 264.36 10.95
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10 10 6 304.52 12.34
10 10 6 296.10 13.56
10 -10 6 333.20 13.28
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-10 -10 -6 313.75 12.99
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10 10 7 74.95 3.95
10 -10 7 81.15 4.90
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10 -10 8 8.75 2.30
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-10 -10 -8 9.41 2.44
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10 10 9 14.41 1.64
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-10 -10 -9 12.76 2.67
-10 10 -9 15.16 2.69
10 -10 10 38.23 3.82
10 10 10 40.12 5.78
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10 -10 11 22.19 3.18
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-10 -12 10 5.75 3.93
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-10 -12 9 198.12 9.97
10 12 -8 0.69 0.90
10 -12 -8 1.32 1.22
-10 -12 8 -2.01 3.86
10 -12 -7 166.23 7.02
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10 12 -6 5.28 1.19
10 -12 -6 8.05 1.46
-10 -12 6 3.06 3.76
10 -12 -5 6.26 1.45
10 12 -5 4.61 1.19
10 -12 -4 42.20 2.81
10 12 -4 38.32 2.48
10 -12 -3 488.48 19.04
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10 -12 -2 15.46 3.82
10 -12 -2 7.68 1.98
-10 -12 2 14.54 3.64
10 -12 -1 590.96 23.05
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10 -12 0 10.03 3.73
10 -12 0 7.43 1.78
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10 -12 1 37.48 2.98
10 -12 1 41.90 4.40
-10 -12 -1 43.90 4.35
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10 -12 2 31.78 4.33
10 -12 2 31.98 2.81
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10 -12 3 162.20 8.48
10 -12 3 181.85 8.13
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10 -12 4 30.89 4.62
-10 -12 -4 30.25 4.03
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-10 12 -4 29.29 2.96
10 -12 5 670.85 26.37
-10 -12 -5 661.77 25.34
-10 -12 -5 649.19 25.26
-10 -12 -5 669.52 25.74
10 -12 6 2.96 2.17
-10 12 -6 1.78 0.73
-10 -12 -6 5.29 2.22
-10 -12 -6 4.50 3.51
-10 -12 -6 3.53 2.11
10 -12 7 102.70 5.84
-10 -12 -7 102.62 5.76
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-10 -12 -7 103.69 5.53
-10 -12 -7 87.61 5.57
10 -12 8 14.03 4.99
10 -12 8 12.83 2.61
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-10 -12 -8 6.61 2.28
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10 -12 9 -0.52 4.81
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-10 12 -9 5.95 2.49
-10 -12 -9 4.16 2.44
10 -12 10 0.53 2.47
-10 -12 -10 -0.99 2.54
-10 12 -10 3.89 2.55
-10 -12 -11 68.40 5.02
-10 -14 10 34.36 5.10
-10 -14 9 49.42 5.35
10 -14 -8 58.06 2.81
10 14 -8 42.14 2.67
-10 14 8 58.03 6.70
-10 -14 8 67.91 5.95
10 -14 -7 32.15 2.34
-10 14 7 29.69 5.61
-10 -14 7 34.10 4.89
10 14 -6 55.41 3.23
10 -14 -6 64.31 3.46
-10 -14 6 55.46 5.58
10 -14 -5 62.66 3.53
10 14 -5 57.23 3.31
10 14 -4 39.03 2.79
10 -14 -4 45.81 3.06
-10 -14 4 46.57 5.09
10 14 -3 149.28 7.00
10 -14 -3 172.24 7.29
-10 -14 3 165.22 8.63
-10 -14 2 87.65 5.97
10 -14 -1 202.89 9.65
-10 -14 1 173.76 6.73
-10 -14 1 190.43 8.85
10 -14 0 138.72 6.87
10 -14 0 151.16 7.97
-10 -14 0 140.45 5.70
-10 -14 0 142.50 7.53
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10 -14 1 82.76 5.92
10 -14 1 83.53 4.79
-10 14 -1 81.72 4.69
-10 -14 -1 83.65 3.86
-10 -14 -1 81.65 5.74
10 -14 2 48.77 3.54
10 -14 2 45.89 5.17
-10 14 -2 46.19 3.44
-10 -14 -2 48.71 4.79
-10 -14 -2 51.02 2.85
10 -14 3 136.25 6.83
10 -14 3 139.96 7.90
-10 -14 -3 122.28 7.08
-10 14 -3 127.23 6.58
-10 -14 -3 132.64 5.88
10 -14 4 115.46 7.27
10 -14 4 112.05 6.03
-10 -14 -4 106.35 6.52
-10 -14 -4 115.06 6.09
-10 -14 -4 114.83 5.47
-10 14 -4 108.07 5.26
-10 14 -4 117.34 6.17
10 -14 5 195.51 10.02
-10 -14 -5 182.21 7.92
-10 -14 -5 179.79 8.43
-10 -14 -5 191.11 8.47
-10 14 -5 164.98 6.92
10 -14 6 91.39 5.51
-10 -14 -6 90.33 5.47
-10 -14 -6 87.49 5.01
10 -14 7 84.54 5.34
-10 -14 -7 76.34 5.29
-10 14 -7 83.82 5.37
-10 -14 -7 86.19 5.09
-10 -14 -7 91.65 5.44
10 -14 8 38.88 5.70
10 -14 8 35.31 3.66
-10 -14 -8 26.64 3.78
-10 -14 -8 33.92 3.39
-10 14 -8 36.24 3.61
-10 -14 -8 40.82 3.68
10 -14 9 21.76 3.16
10 14 9 12.27 5.49
10 -14 9 22.26 5.49
-10 -14 -9 19.51 3.06
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-10 16 9 8.31 6.15
-10 16 9 4.17 1.85
-10 16 8 15.22 5.76
-10 16 8 14.67 5.93
-10 -16 8 9.95 4.83
10 -16 -7 55.21 3.16
-10 -16 7 54.78 5.65
-10 16 7 54.30 6.59
10 -16 -6 4.63 1.68
10 16 -6 4.21 1.76
-10 16 6 2.99 5.47
10 -16 -5 197.48 7.79
10 16 -5 155.63 7.55
-10 16 5 194.08 10.18
10 -16 -4 15.62 2.17
10 16 -4 10.33 2.02
-10 16 4 12.27 5.02
-10 -16 4 10.91 4.66
10 16 -3 81.68 4.59
10 -16 -3 97.14 4.87
-10 -16 3 93.80 6.67
-10 16 3 90.48 6.61
10 16 -2 25.38 2.47
-10 16 2 20.58 4.78
-10 -16 2 29.55 4.88
10 -16 -1 25.03 2.69
10 -16 -1 33.28 4.81
-10 16 1 29.41 4.69
-10 -16 1 39.21 5.06
10 -16 0 9.55 4.57
10 -16 0 8.54 2.22
-10 -16 0 16.07 4.49
-10 16 0 6.04 4.11
10 -16 1 225.60 10.85
10 -16 1 220.54 10.01
-10 -16 -1 223.80 10.21
-10 16 -1 205.11 9.64
-10 16 -1 213.92 9.60
10 -16 2 6.94 4.71
10 -16 2 8.54 2.31
-10 -16 -2 9.45 1.50
-10 16 -2 7.28 2.11
-10 16 -2 2.73 3.48
-10 -16 -2 5.12 4.43
10 -16 3 182.26 9.70
10 -16 3 185.62 8.74
-10 -16 -3 176.36 9.03
-10 16 -3 180.51 8.06
-10 -16 -3 183.38 7.74
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10 -16 4 17.86 5.08
10 -16 4 14.09 2.42
-10 16 -4 11.45 2.69
-10 16 -4 12.62 2.57
-10 -16 -4 13.11 2.03
-10 -16 -4 16.83 4.39
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-10 -16 -5 3.62 1.74
-10 -16 -5 4.60 4.04
-10 -16 -5 0.98 2.22
-10 -16 -6 23.63 2.69
-10 -16 -6 25.50 3.29
10 -16 7 106.96 7.82
10 -16 7 105.36 6.34
-10 16 -7 100.45 6.09
-10 -16 -7 92.94 5.86
-10 -16 -7 106.61 6.18
-10 -16 -7 103.24 5.68
10 -16 8 4.42 5.45
10 -16 8 6.88 2.69
-10 16 -8 10.37 2.91
-10 -16 -8 10.29 2.97
-10 -16 -8 7.70 2.67
-10 -16 -9 99.26 5.98
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10 18 -6 51.83 3.59
10 -18 -6 56.17 3.46
-10 18 6 56.93 6.75
10 -18 -5 85.31 4.33
10 18 -5 63.69 4.19
-10 18 5 70.40 6.96
-10 -18 5 79.88 6.52
10 -18 -4 77.82 4.40
10 18 -4 68.36 4.32
-10 -18 4 73.66 6.46
-10 18 4 68.34 6.71
10 18 -3 34.67 3.04
-10 18 3 28.53 5.65
-10 -18 3 24.47 5.22
10 18 -2 9.78 2.10
-10 -18 2 7.10 4.67
-10 18 2 6.90 4.97
10 -18 -1 16.83 2.46
-10 18 1 12.24 4.60
-10 -18 1 12.79 4.92
10 -18 0 76.22 6.70
10 -18 0 78.38 4.84
-10 18 0 72.07 5.84
-10 -18 0 78.69 6.24
10 -18 1 59.08 4.21
10 -18 1 61.03 6.21
-10 -18 -1 59.13 4.34
-10 18 -1 63.97 4.31
-10 18 -1 54.00 5.15
-10 -18 -1 60.40 5.82
10 -18 2 98.19 7.21
10 -18 2 94.06 5.52
-10 18 -2 89.58 5.43
-10 18 -2 92.61 5.75
-10 -18 -2 88.56 6.58
-10 -18 -2 99.90 5.68
10 -18 3 37.07 3.43
10 -18 3 45.05 5.99
-10 18 -3 31.62 3.82
-10 18 -3 33.83 3.43
-10 -18 -3 39.59 3.61
-10 -18 -3 38.70 5.17
10 -18 4 44.58 6.04
10 -18 4 34.89 3.50
-10 18 -4 44.80 3.88
-10 18 -4 36.08 3.27
-10 -18 -4 39.30 5.07
10 -18 5 1.54 2.28
10 -18 5 0.87 5.29
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18 8 0 22.14 5.10
18 -8 0 26.42 3.33
-18 -8 0 28.77 6.01
-18 8 0 23.58 2.84
18 8 1 30.68 5.23
18 -8 1 19.47 3.06
18 8 1 28.09 3.16
-18 8 -1 25.14 3.02
18 -8 2 48.24 4.09
18 8 2 43.63 3.86
-18 -8 -2 38.81 6.31
-18 8 -2 45.65 3.89
18 8 3 22.33 6.11
18 -8 3 21.54 6.11
18 8 3 21.49 3.00
-18 8 -3 22.81 3.12
-18 -8 -3 18.38 6.15
18 8 4 48.00 4.07
18 8 4 49.67 6.77
-18 -8 -4 50.83 6.94
18 8 5 132.45 7.12
-18 -8 -5 134.99 9.02
18 8 6 10.48 2.98
-18 -8 -6 10.70 6.10
18 -10 -7 0.14 2.43
18 -10 -6 19.75 3.08
18 -10 -5 55.44 4.21
18 -10 -4 74.91 4.98
18 -10 -3 76.89 5.16
18 -10 -3 82.62 6.03
-18 10 3 74.47 4.36
18 -10 -2 36.20 5.23
18 10 -2 33.07 4.71
18 -10 -2 36.72 3.60
-18 -10 2 29.53 6.19
-18 10 2 33.73 3.02
18 -10 -1 6.32 2.57
18 10 -1 3.96 4.55
18 -10 -1 9.58 5.14
-18 -10 1 7.40 5.76
-18 10 1 8.41 2.33
18 -10 0 36.39 5.89
18 -10 0 37.51 3.76
18 10 0 35.96 5.57
-18 10 0 37.73 3.43
-18 -10 0 32.92 6.34
18 10 1 45.42 3.89
18 -10 1 46.61 6.15
18 10 1 46.79 5.97
18 -10 1 43.67 4.09
-18 10 -1 46.61 3.91
-18 -10 -1 40.81 6.56
18 10 2 37.35 3.74
18 -10 2 41.94 6.52
18 -10 2 38.97 3.91
18 10 2 42.17 6.27
-18 10 -2 41.03 3.88
18 10 3 77.42 7.37
18 10 3 78.31 5.21
18 -10 3 78.90 7.45
-18 10 -3 73.98 5.09
-18 -10 -3 74.31 7.74
18 10 4 35.63 3.83
18 10 4 44.70 6.64
-18 -10 -4 44.93 7.14
18 10 5 42.29 3.91
-18 -10 -5 48.73 6.92
18 -12 -6 3.86 2.38
18 -12 -5 62.36 4.62
18 -12 -4 7.08 2.75
18 -12 -3 88.63 5.62
18 -12 -2 -0.26 5.02
18 -12 -2 -1.02 2.60
-18 12 2 -0.88 1.91
18 -12 -1 3.78 5.21
18 -12 -1 0.88 2.40
18 12 -1 0.36 4.70
-18 12 1 3.39 2.16
18 12 0 -0.40 5.20
18 -12 0 -0.18 2.42
18 -12 0 3.24 5.51
-18 12 0 2.03 2.29
-18 -12 0 -1.97 5.84
18 12 1 46.19 6.45
18 -12 1 41.27 6.42
-18 12 -1 48.50 4.01
-18 -12 -1 47.81 6.88
18 12 2 6.14 5.87
18 -12 2 -0.17 6.28
-18 12 -2 3.66 2.60
18 12 3 91.15 7.84
-18 -12 -4 -1.88 2.55
18 -14 -5 24.33 3.24
18 -14 -4 28.38 3.58
18 -14 -3 14.28 3.04
-18 14 2 26.13 3.14
18 -14 -1 14.41 5.73
-18 14 1 12.77 2.71
18 -14 0 22.95 6.17
18 14 0 22.10 5.93
-18 14 0 20.35 3.01
18 -14 1 19.97 6.42
18 14 1 12.67 5.99
-18 14 -1 13.33 2.85
18 14 2 16.82 6.43
18 -16 -1 76.59 7.63
-18 16 1 67.33 5.01
-19 1 7 7.25 4.15
19 -1 -6 20.96 3.03
19 1 -6 19.19 3.10
-19 1 6 19.41 4.57
19 -1 -5 162.78 8.26
19 1 -5 170.20 8.41
-19 1 5 179.83 9.70
19 -1 -4 28.47 3.43
19 1 -4 30.04 3.45
-19 -1 4 24.49 5.10
-19 1 4 29.36 5.37
19 -1 -3 168.62 8.36
19 1 -3 167.40 8.34
-19 -1 3 148.49 9.12
-19 1 3 170.35 9.24
19 -1 -2 17.87 3.95
19 -1 -2 16.91 2.95
19 1 -2 23.34 2.99
-19 -1 2 20.31 5.15
-19 1 2 23.24 5.31
19 1 -1 11.08 2.50
19 -1 -1 12.80 2.60
-19 1 1 18.51 5.02
19 1 1 32.06 3.54
-19 1 -1 29.51 5.41
-19 -1 -1 29.05 5.56
19 -1 2 29.19 3.37
19 1 2 25.97 5.74
19 1 2 25.38 3.35
-19 -1 -2 24.47 5.78
-19 1 -2 25.99 5.76
19 1 3 244.68 11.08
19 -1 3 226.01 11.01
19 1 3 249.47 11.94
-19 -1 -3 222.48 11.75
-19 1 -3 237.13 11.89
19 -1 4 21.75 3.62
19 1 4 18.91 6.15
19 1 4 28.65 3.64
-19 -1 -4 30.04 6.32
19 -3 -7 53.88 4.26
-19 3 7 51.19 5.25
19 -3 -6 15.77 2.79
-19 3 6 16.71 4.38
19 -3 -5 28.85 3.29
19 3 -5 25.71 3.46
-19 3 5 28.64 4.94
19 -3 -4 82.66 5.33
19 3 -4 82.94 5.33
-19 3 4 93.40 6.92
19 -3 -3 47.51 4.15
19 3 -3 56.28 4.24
-19 3 3 49.97 5.66
19 -3 -2 39.92 4.58
19 3 -2 35.25 3.52
19 -3 -2 31.73 3.60
-19 3 2 32.39 5.36
19 -3 -1 49.04 5.04
19 -3 -1 48.68 4.05
-19 3 1 56.49 6.11
19 -3 0 12.61 2.57
19 3 0 7.01 2.56
19 3 0 14.75 4.71
-19 -3 0 6.67 5.16
-19 3 0 10.73 5.15
19 3 1 89.88 5.64
19 3 1 95.99 6.95
-19 -3 -1 82.58 7.35
19 3 2 59.31 6.53
19 -3 2 69.23 4.94
19 3 2 60.05 4.63
-19 3 -2 52.59 6.23
-19 -3 -2 55.94 6.74
19 3 3 52.96 4.26
19 -3 3 49.25 4.26
-19 3 -3 43.72 6.30
-19 -3 -3 40.91 6.41
19 3 4 80.46 7.59
19 3 4 89.81 5.60
-19 -3 -4 86.68 7.53
19 -5 -8 7.20 2.68
19 -5 -7 49.85 4.17
-19 5 7 50.39 4.92
19 -5 -6 17.52 3.03
-19 5 6 21.15 4.15
19 -5 -5 16.06 2.83
-19 5 5 19.65 4.30
19 -5 -4 -0.82 2.61
19 5 -4 -1.52 2.53
-19 5 4 -1.87 4.19
-19 -5 4 3.24 5.13
19 -5 -3 52.55 4.31
19 5 -3 56.66 4.24
-19 5 3 60.51 5.84
-19 -5 3 55.58 6.38
19 5 -2 6.46 3.96
19 -5 -2 8.40 2.77
19 -5 -2 10.85 4.31
-19 5 2 7.64 4.64
19 5 -1 108.44 6.76
19 -5 -1 111.45 6.99
19 -5 -1 111.53 6.38
-19 5 1 118.96 7.93
19 -5 0 34.45 3.62
19 -5 0 30.96 5.45
19 5 0 23.51 3.24
19 5 0 31.70 5.20
-19 -5 0 25.44 5.66
-19 5 0 27.54 5.34
19 5 1 52.22 4.24
19 5 1 50.72 6.05
19 -5 1 52.70 4.36
-19 -5 -1 46.01 6.48
19 5 2 15.21 5.87
19 5 2 13.03 2.89
-19 -5 -2 15.12 5.76
19 5 3 3.54 2.53
19 5 3 2.35 6.13
-19 -5 -3 -0.18 5.48
19 5 4 25.17 6.50
19 5 4 23.49 3.47
19 -7 -7 5.20 2.60
-19 7 7 12.73 3.58
19 -7 -6 45.50 4.01
-19 7 6 48.94 4.79
19 -7 -5 16.46 2.86
-19 7 5 17.34 4.02
19 -7 -4 4.26 2.55
-19 7 4 4.94 4.36
19 -7 -3 27.56 3.43
-19 7 3 25.86 5.03
19 -7 -2 117.43 7.10
19 -7 -2 114.52 6.50
-19 7 2 117.95 7.72
19 -7 -1 10.14 2.75
19 -7 -1 11.02 4.85
19 7 -1 10.04 2.64
19 7 -1 10.42 4.77
-19 7 1 7.20 4.90
19 -7 0 86.73 5.60
19 -7 0 91.65 6.92
19 7 0 80.34 5.39
19 7 0 86.66 6.59
-19 7 0 86.19 6.94
19 -7 1 6.20 2.61
19 -7 1 11.61 5.41
19 7 1 6.79 2.44
19 7 1 10.72 5.26
-19 -7 -1 7.14 5.49
19 -7 2 14.82 5.99
19 7 2 9.98 6.06
19 7 2 14.04 2.75
-19 -7 -2 10.76 5.96
19 7 3 27.65 6.20
19 7 3 28.40 3.47
19 -7 3 32.31 6.36
19 7 4 22.68 6.52
19 -9 -6 15.47 2.96
-19 9 6 17.78 3.80
19 -9 -5 49.32 4.21
-19 9 5 38.99 4.69
19 -9 -4 12.89 2.98
-19 9 4 17.29 4.44
19 -9 -3 84.00 5.40
19 -9 -2 45.69 4.07
19 -9 -2 42.58 5.57
-19 9 2 39.45 3.21
19 -9 -1 12.97 2.81
19 9 -1 12.16 4.94
19 -9 -1 16.31 5.41
-19 9 1 16.33 2.52
19 -9 0 29.89 5.81
19 9 0 20.64 5.39
-19 9 0 24.78 2.95
19 9 1 28.87 5.97
19 -9 1 34.96 6.19
-19 9 -1 20.56 2.95
19 -9 2 22.04 6.46
19 9 2 23.50 6.16
-19 9 -2 18.26 2.96
19 9 3 94.34 8.00
19 -9 3 97.13 8.05
-19 9 -3 94.48 5.88
19 -11 -1 5.78 5.45
-19 11 1 4.90 2.23
19 -11 0 -2.35 5.80
19 11 0 1.33 5.35
-19 11 0 -1.76 2.36
19 11 1 15.72 5.64
19 -11 1 10.91 6.09
-19 11 -1 9.45 2.61
19 11 2 88.17 7.70
19 -11 2 91.63 7.92
-19 11 -2 81.24 5.38
19 -13 0 -0.32 6.03
-19 13 0 1.56 2.46
19 13 1 17.92 5.98
20 0 -2 91.53 5.75
20 0 -1 1.07 2.44
20 -2 -3 68.78 5.00
20 -2 -2 33.98 3.72
20 -2 -1 21.13 3.27
20 -2 -1 14.21 4.67
20 2 2 86.91 7.37
20 2 3 79.77 7.38
20 -4 -1 6.30 4.76
20 -4 0 105.13 7.36
20 4 0 96.35 7.02
20 4 1 17.00 5.66
20 4 2 58.01 6.87
20 4 3 37.60 6.52
20 -6 0 36.10 5.72
20 6 0 29.69 5.59
20 6 1 49.29 6.34
20 -6 1 59.67 6.59
20 6 2 29.77 6.58
20 -6 2 29.69 6.28
20 6 3 5.08 6.37
20 -8 0 3.19 5.43
20 8 1 53.14 6.62
20 -8 1 62.09 6.92
20 8 2 29.58 6.67
20 -8 2 35.17 6.50
-20 10 0 -0.87 2.52
20 -10 1 20.88 6.30
-20 10 -1 17.36 2.94
20 10 2 68.31 7.60
21 3 2 44.14 7.00
21 -5 2 16.42 6.57
0 0 0 0.00 0.00
_computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)'
;
_shelx_hkl_checksum 58021
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 0.43879(2) 0.14365(2) 0.55990(3) 0.02871(7) Uani 1 1 d . . . . .
Rh2 Rh 0.51408(2) 0.23214(2) 0.41231(2) 0.03032(8) Uani 1 1 d . . . . .
S1 S 0.31366(7) 0.15531(6) 0.42545(11) 0.0386(2) Uani 1 1 d . . . . .
S2 S 0.38090(8) 0.23335(7) 0.29396(11) 0.0400(3) Uani 1 1 d . . . . .
O1 O 0.2908(3) 0.0950(2) 0.3499(5) 0.0601(11) Uani 1 1 d . . . . .
O2 O 0.2383(3) 0.1887(3) 0.4791(5) 0.0627(11) Uani 1 1 d . . . . .
O3 O 0.3844(3) 0.2016(3) 0.1691(4) 0.0585(11) Uani 1 1 d . . . . .
O4 O 0.3319(3) 0.2976(3) 0.2957(5) 0.0620(11) Uani 1 1 d . . . . .
O7 O 0.7531(5) -0.0354(5) 0.6059(9) 0.125(3) Uani 1 1 d . . . . .
O8 O 0.4962(4) 0.5474(3) 0.3300(6) 0.0861(17) Uani 1 1 d . . . . .
C1 C 0.5314(3) 0.0790(3) 0.6872(4) 0.0393(9) Uani 1 1 d . . . . .
C2 C 0.4611(4) 0.0373(3) 0.6331(5) 0.0451(11) Uani 1 1 d . . . . .
C3 C 0.3798(4) 0.0618(4) 0.6732(6) 0.0601(17) Uani 1 1 d . . . . .
C4 C 0.3985(5) 0.1190(4) 0.7543(6) 0.0647(19) Uani 1 1 d . . . . .
C5 C 0.4917(5) 0.1295(3) 0.7638(5) 0.0531(14) Uani 1 1 d . . . . .
C6 C 0.6287(4) 0.0694(4) 0.6749(8) 0.073(2) Uani 1 1 d . . . . .
H6A H 0.6590 0.1126 0.6926 0.087 Uiso 1 1 calc R U . . .
H6B H 0.6384 0.0568 0.5881 0.087 Uiso 1 1 calc R U . . .
C7 C 0.4740(8) -0.0252(4) 0.5534(8) 0.094(3) Uani 1 1 d . . . . .
H7A H 0.4300 -0.0258 0.4833 0.113 Uiso 1 1 calc R U . . .
H7B H 0.4679 -0.0656 0.6041 0.113 Uiso 1 1 calc R U . . .
H7C H 0.5326 -0.0242 0.5220 0.113 Uiso 1 1 calc R U . . .
C8 C 0.2917(6) 0.0283(7) 0.6407(11) 0.126(6) Uani 1 1 d . . . . .
H8A H 0.2749 0.0016 0.7116 0.151 Uiso 1 1 calc R U . . .
H8B H 0.2964 -0.0010 0.5685 0.151 Uiso 1 1 calc R U . . .
H8C H 0.2474 0.0628 0.6212 0.151 Uiso 1 1 calc R U . . .
C9 C 0.3302(10) 0.1564(7) 0.8250(10) 0.145(7) Uani 1 1 d . . . . .
H9A H 0.3481 0.2033 0.8367 0.174 Uiso 1 1 calc R U . . .
H9B H 0.3251 0.1352 0.9062 0.174 Uiso 1 1 calc R U . . .
H9C H 0.2735 0.1546 0.7773 0.174 Uiso 1 1 calc R U . . .
C10 C 0.5402(10) 0.1794(4) 0.8479(8) 0.112(4) Uani 1 1 d . . . . .
H10A H 0.5484 0.1607 0.9319 0.134 Uiso 1 1 calc R U . . .
H10B H 0.5064 0.2211 0.8502 0.134 Uiso 1 1 calc R U . . .
H10C H 0.5974 0.1889 0.8161 0.134 Uiso 1 1 calc R U . . .
C11 C 0.6697(4) 0.0148(5) 0.7637(8) 0.076(2) Uani 1 1 d . . . . .
H11A H 0.6741 0.0320 0.8500 0.091 Uiso 1 1 calc R U . . .
H11B H 0.6319 -0.0255 0.7608 0.091 Uiso 1 1 calc R U . . .
C12 C 0.7621(5) -0.0041(7) 0.7241(11) 0.106(4) Uani 1 1 d . . . . .
H12A H 0.7985 0.0368 0.7199 0.127 Uiso 1 1 calc R U . . .
H12B H 0.7909 -0.0351 0.7858 0.127 Uiso 1 1 calc R U . . .
C13 C 0.8314(9) -0.0525(13) 0.5529(14) 0.199(11) Uani 1 1 d . . . . .
H13A H 0.8674 -0.0801 0.6116 0.239 Uiso 1 1 calc R U . . .
H13B H 0.8633 -0.0115 0.5342 0.239 Uiso 1 1 calc R U . . .
H13C H 0.8182 -0.0779 0.4761 0.239 Uiso 1 1 calc R U . . .
C14 C 0.5780(3) 0.3344(3) 0.3997(5) 0.0432(10) Uani 1 1 d . . . . .
C15 C 0.5804(3) 0.3003(3) 0.2788(5) 0.0431(11) Uani 1 1 d . . . . .
C16 C 0.6344(3) 0.2401(3) 0.2958(5) 0.0411(10) Uani 1 1 d . . . . .
C17 C 0.6667(3) 0.2381(3) 0.4262(5) 0.0410(10) Uani 1 1 d . . . . .
C18 C 0.6326(3) 0.2957(3) 0.4904(5) 0.0403(10) Uani 1 1 d . . . . .
C19 C 0.5370(3) 0.4021(3) 0.4197(8) 0.0604(17) Uani 1 1 d . . . . .
H19A H 0.5214 0.4058 0.5071 0.072 Uiso 1 1 calc R U . . .
H19B H 0.4826 0.4063 0.3654 0.072 Uiso 1 1 calc R U . . .
C20 C 0.5409(5) 0.3245(4) 0.1528(6) 0.0634(17) Uani 1 1 d . . . . .
H20A H 0.5050 0.2887 0.1134 0.076 Uiso 1 1 calc R U . . .
H20B H 0.5879 0.3363 0.0995 0.076 Uiso 1 1 calc R U . . .
H20C H 0.5044 0.3641 0.1647 0.076 Uiso 1 1 calc R U . . .
C21 C 0.6601(5) 0.1928(4) 0.1923(7) 0.0664(17) Uani 1 1 d . . . . .
H21A H 0.7077 0.2129 0.1487 0.080 Uiso 1 1 calc R U . . .
H21B H 0.6095 0.1855 0.1334 0.080 Uiso 1 1 calc R U . . .
H21C H 0.6794 0.1497 0.2284 0.080 Uiso 1 1 calc R U . . .
C22 C 0.7344(4) 0.1879(4) 0.4806(8) 0.0590(15) Uani 1 1 d . . . . .
H22A H 0.7154 0.1422 0.4592 0.071 Uiso 1 1 calc R U . . .
H22B H 0.7403 0.1927 0.5712 0.071 Uiso 1 1 calc R U . . .
H22C H 0.7909 0.1967 0.4464 0.071 Uiso 1 1 calc R U . . .
C23 C 0.6564(4) 0.3153(4) 0.6244(6) 0.0644(18) Uani 1 1 d . . . . .
H23A H 0.7122 0.3394 0.6295 0.077 Uiso 1 1 calc R U . . .
H23B H 0.6617 0.2747 0.6758 0.077 Uiso 1 1 calc R U . . .
H23C H 0.6106 0.3442 0.6544 0.077 Uiso 1 1 calc R U . . .
C24 C 0.6013(4) 0.4607(4) 0.3902(11) 0.082(3) Uani 1 1 d . . . . .
H24A H 0.6576 0.4535 0.4389 0.098 Uiso 1 1 calc R U . . .
H24B H 0.6130 0.4585 0.3011 0.098 Uiso 1 1 calc R U . . .
C25 C 0.5674(5) 0.5311(4) 0.4188(10) 0.079(2) Uani 1 1 d . . . . .
H25A H 0.5471 0.5323 0.5040 0.095 Uiso 1 1 calc R U . . .
H25B H 0.6150 0.5644 0.4137 0.095 Uiso 1 1 calc R U . . .
C26 C 0.4656(8) 0.6119(4) 0.3533(10) 0.093(3) Uani 1 1 d . . . . .
H26A H 0.5152 0.6430 0.3630 0.112 Uiso 1 1 calc R U . . .
H26B H 0.4344 0.6116 0.4297 0.112 Uiso 1 1 calc R U . . .
H26C H 0.4258 0.6265 0.2836 0.112 Uiso 1 1 calc R U . . .
C27 C 0.5031(3) 0.1276(3) 0.3969(4) 0.0340(9) Uani 1 1 d . . . . .
H27A H 0.5589 0.1026 0.4079 0.041 Uiso 1 1 calc R U . . .
H27B H 0.4656 0.1113 0.3248 0.041 Uiso 1 1 calc R U . . .
C28 C 0.4378(4) 0.2486(2) 0.5629(6) 0.0370(8) Uani 1 1 d . . . . .
H28A H 0.3801 0.2696 0.5421 0.044 Uiso 1 1 calc R U . . .
H28B H 0.4688 0.2694 0.6367 0.044 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 0.02595(13) 0.03397(15) 0.02606(13) -0.00075(12) 0.00069(9) 0.00321(12)
Rh2 0.02450(13) 0.03849(17) 0.02724(13) 0.00058(12) -0.00376(10) -0.00260(12)
S1 0.0261(5) 0.0497(6) 0.0393(5) 0.0015(5) -0.0042(4) -0.0028(4)
S2 0.0301(5) 0.0526(7) 0.0354(5) 0.0073(4) -0.0114(4) -0.0038(4)
O1 0.054(2) 0.063(3) 0.062(3) -0.001(2) -0.0126(19) -0.019(2)
O2 0.0297(18) 0.083(3) 0.075(3) 0.007(2) 0.0032(17) 0.0076(18)
O3 0.053(2) 0.085(3) 0.0347(18) 0.0007(19) -0.0121(16) -0.014(2)
O4 0.052(2) 0.061(3) 0.070(3) 0.014(2) -0.016(2) 0.0101(19)
O7 0.087(5) 0.169(8) 0.123(6) 0.043(6) 0.040(4) 0.060(5)
O8 0.082(4) 0.064(3) 0.109(5) -0.013(3) -0.016(3) 0.001(3)
C1 0.035(2) 0.043(2) 0.039(2) 0.0099(18) -0.0003(17) 0.0086(18)
C2 0.064(3) 0.035(2) 0.036(2) 0.0062(18) 0.004(2) -0.004(2)
C3 0.043(3) 0.082(4) 0.054(3) 0.036(3) -0.002(2) -0.005(3)
C4 0.068(4) 0.089(5) 0.040(3) 0.025(3) 0.022(3) 0.042(4)
C5 0.089(4) 0.041(3) 0.027(2) 0.0047(18) -0.014(2) 0.007(3)
C6 0.037(3) 0.098(5) 0.084(5) 0.049(4) 0.013(3) 0.021(3)
C7 0.175(11) 0.042(3) 0.065(4) -0.009(3) 0.010(6) -0.011(4)
C8 0.063(5) 0.171(11) 0.140(9) 0.105(9) -0.027(5) -0.052(6)
C9 0.183(12) 0.175(11) 0.088(7) 0.061(7) 0.089(8) 0.134(11)
C10 0.212(13) 0.056(4) 0.058(4) -0.002(3) -0.060(6) -0.014(6)
C11 0.045(3) 0.101(6) 0.083(5) 0.047(4) 0.010(3) 0.026(3)
C12 0.050(4) 0.149(10) 0.120(8) 0.065(7) 0.017(4) 0.045(5)
C13 0.093(8) 0.39(3) 0.121(10) 0.091(15) 0.043(8) 0.109(14)
C14 0.029(2) 0.042(2) 0.058(3) -0.006(2) 0.0001(19) -0.0065(17)
C15 0.035(2) 0.053(3) 0.040(2) 0.007(2) -0.0040(18) -0.009(2)
C16 0.038(2) 0.047(3) 0.039(2) 0.0032(19) 0.0060(19) -0.0080(19)
C17 0.0255(19) 0.052(3) 0.045(2) 0.003(2) -0.0003(17) -0.0048(17)
C18 0.0243(18) 0.055(3) 0.041(2) -0.004(2) -0.0028(16) -0.0072(18)
C19 0.030(2) 0.046(3) 0.105(5) -0.011(3) 0.004(3) -0.0018(19)
C20 0.061(4) 0.073(4) 0.054(3) 0.027(3) -0.005(3) -0.017(3)
C21 0.074(4) 0.069(4) 0.059(4) -0.009(3) 0.030(3) -0.012(3)
C22 0.031(2) 0.068(4) 0.078(4) 0.026(3) 0.005(2) 0.001(2)
C23 0.033(2) 0.106(6) 0.053(3) -0.030(3) -0.007(2) -0.009(3)
C24 0.041(3) 0.055(4) 0.150(8) -0.021(4) 0.015(4) -0.007(3)
C25 0.062(4) 0.049(3) 0.125(7) -0.016(4) -0.004(4) -0.010(3)
C26 0.118(8) 0.065(5) 0.094(6) 0.000(4) -0.019(5) 0.003(5)
C27 0.034(2) 0.041(2) 0.027(2) -0.0030(17) 0.0033(16) 0.0014(18)
C28 0.036(2) 0.0369(18) 0.038(2) -0.004(2) 0.0013(16) 0.0000(19)
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 99.8(2) . . ?
C28 Rh1 C3 135.1(3) . . ?
C27 Rh1 C3 124.8(3) . . ?
C28 Rh1 C2 157.7(2) . . ?
C27 Rh1 C2 94.6(2) . . ?
C3 Rh1 C2 36.8(2) . . ?
C28 Rh1 C4 101.4(3) . . ?
C27 Rh1 C4 155.5(2) . . ?
C3 Rh1 C4 37.4(3) . . ?
C2 Rh1 C4 61.6(2) . . ?
C28 Rh1 C1 123.7(2) . . ?
C27 Rh1 C1 96.26(18) . . ?
C3 Rh1 C1 61.8(2) . . ?
C2 Rh1 C1 37.0(2) . . ?
C4 Rh1 C1 61.63(19) . . ?
C28 Rh1 C5 96.3(2) . . ?
C27 Rh1 C5 128.7(2) . . ?
C3 Rh1 C5 61.7(2) . . ?
C2 Rh1 C5 61.44(19) . . ?
C4 Rh1 C5 36.6(3) . . ?
C1 Rh1 C5 36.9(2) . . ?
C28 Rh1 S1 84.48(17) . . ?
C27 Rh1 S1 84.68(13) . . ?
C3 Rh1 S1 93.76(15) . . ?
C2 Rh1 S1 113.91(15) . . ?
C4 Rh1 S1 109.32(19) . . ?
C1 Rh1 S1 150.87(14) . . ?
C5 Rh1 S1 145.52(19) . . ?
C28 Rh1 Rh2 50.00(17) . . ?
C27 Rh1 Rh2 50.11(14) . . ?
C3 Rh1 Rh2 174.9(2) . . ?
C2 Rh1 Rh2 139.01(15) . . ?
C4 Rh1 Rh2 147.1(2) . . ?
C1 Rh1 Rh2 116.63(13) . . ?
C5 Rh1 Rh2 120.42(17) . . ?
S1 Rh1 Rh2 86.24(3) . . ?
C28 Rh2 C27 99.9(2) . . ?
C28 Rh2 C15 134.2(2) . . ?
C27 Rh2 C15 125.6(2) . . ?
C28 Rh2 C14 99.9(2) . . ?
C27 Rh2 C14 157.00(19) . . ?
C15 Rh2 C14 37.9(2) . . ?
C28 Rh2 C16 157.3(2) . . ?
C27 Rh2 C16 95.04(19) . . ?
C15 Rh2 C16 37.3(2) . . ?
C14 Rh2 C16 62.68(19) . . ?
C28 Rh2 C18 95.6(2) . . ?
C27 Rh2 C18 128.80(19) . . ?
C15 Rh2 C18 62.07(18) . . ?
C14 Rh2 C18 37.12(19) . . ?
C16 Rh2 C18 61.71(18) . . ?
C28 Rh2 S2 84.79(17) . . ?
C27 Rh2 S2 84.51(13) . . ?
C15 Rh2 S2 93.39(13) . . ?
C14 Rh2 S2 108.87(13) . . ?
C16 Rh2 S2 113.81(14) . . ?
C18 Rh2 S2 145.66(14) . . ?
C28 Rh2 C17 123.5(2) . . ?
C27 Rh2 C17 97.51(19) . . ?
C15 Rh2 C17 61.40(18) . . ?
C14 Rh2 C17 61.53(18) . . ?
C16 Rh2 C17 36.65(18) . . ?
C18 Rh2 C17 36.36(19) . . ?
S2 Rh2 C17 150.42(14) . . ?
C28 Rh2 Rh1 50.03(14) . . ?
C27 Rh2 Rh1 50.17(13) . . ?
C15 Rh2 Rh1 175.75(16) . . ?
C14 Rh2 Rh1 146.01(14) . . ?
C16 Rh2 Rh1 139.36(14) . . ?
C18 Rh2 Rh1 119.92(13) . . ?
S2 Rh2 Rh1 86.34(3) . . ?
C17 Rh2 Rh1 117.59(13) . . ?
O1 S1 O2 114.6(3) . . ?
O1 S1 Rh1 114.5(2) . . ?
O2 S1 Rh1 115.5(2) . . ?
O1 S1 S2 107.3(2) . . ?
O2 S1 S2 108.6(2) . . ?
Rh1 S1 S2 93.69(5) . . ?
O4 S2 O3 115.2(3) . . ?
O4 S2 Rh2 115.27(19) . . ?
O3 S2 Rh2 113.98(18) . . ?
O4 S2 S1 108.4(2) . . ?
O3 S2 S1 107.7(2) . . ?
Rh2 S2 S1 93.72(5) . . ?
C13 O7 C12 115.9(12) . . ?
C26 O8 C25 109.7(7) . . ?
C2 C1 C5 107.2(5) . . ?
C2 C1 C6 126.9(6) . . ?
C5 C1 C6 125.8(6) . . ?
C2 C1 Rh1 70.6(3) . . ?
C5 C1 Rh1 71.8(3) . . ?
C6 C1 Rh1 126.1(4) . . ?
C3 C2 C1 108.8(5) . . ?
C3 C2 C7 126.4(7) . . ?
C1 C2 C7 124.7(7) . . ?
C3 C2 Rh1 71.0(3) . . ?
C1 C2 Rh1 72.4(3) . . ?
C7 C2 Rh1 125.7(4) . . ?
C2 C3 C4 107.9(5) . . ?
C2 C3 C8 123.8(9) . . ?
C4 C3 C8 128.1(9) . . ?
C2 C3 Rh1 72.2(3) . . ?
C4 C3 Rh1 71.9(4) . . ?
C8 C3 Rh1 124.8(5) . . ?
C5 C4 C3 108.2(5) . . ?
C5 C4 C9 127.1(10) . . ?
C3 C4 C9 124.5(10) . . ?
C5 C4 Rh1 72.9(3) . . ?
C3 C4 Rh1 70.7(3) . . ?
C9 C4 Rh1 126.2(5) . . ?
C4 C5 C1 108.0(5) . . ?
C4 C5 C10 125.8(8) . . ?
C1 C5 C10 126.0(8) . . ?
C4 C5 Rh1 70.5(3) . . ?
C1 C5 Rh1 71.3(3) . . ?
C10 C5 Rh1 128.3(5) . . ?
C1 C6 C11 113.2(5) . . ?
C1 C6 H6A 108.9 . . ?
C11 C6 H6A 108.9 . . ?
C1 C6 H6B 108.9 . . ?
C11 C6 H6B 108.9 . . ?
H6A C6 H6B 107.8 . . ?
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 109.8(6) . . ?
C12 C11 H11A 109.7 . . ?
C6 C11 H11A 109.7 . . ?
C12 C11 H11B 109.7 . . ?
C6 C11 H11B 109.7 . . ?
H11A C11 H11B 108.2 . . ?
O7 C12 C11 108.6(8) . . ?
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(4) . . ?
C18 C14 C19 126.8(5) . . ?
C15 C14 C19 125.0(6) . . ?
C18 C14 Rh2 73.6(3) . . ?
C15 C14 Rh2 71.1(3) . . ?
C19 C14 Rh2 127.5(4) . . ?
C16 C15 C14 108.3(4) . . ?
C16 C15 C20 123.9(6) . . ?
C14 C15 C20 127.6(6) . . ?
C16 C15 Rh2 72.7(3) . . ?
C14 C15 Rh2 71.1(3) . . ?
C20 C15 Rh2 125.8(4) . . ?
C17 C16 C15 107.2(5) . . ?
C17 C16 C21 126.8(6) . . ?
C15 C16 C21 125.7(5) . . ?
C17 C16 Rh2 72.9(3) . . ?
C15 C16 Rh2 70.0(3) . . ?
C21 C16 Rh2 127.5(4) . . ?
C18 C17 C16 109.2(4) . . ?
C18 C17 C22 126.1(5) . . ?
C16 C17 C22 124.4(6) . . ?
C18 C17 Rh2 71.4(3) . . ?
C16 C17 Rh2 70.5(3) . . ?
C22 C17 Rh2 129.9(4) . . ?
C17 C18 C14 107.7(4) . . ?
C17 C18 C23 125.7(5) . . ?
C14 C18 C23 126.4(5) . . ?
C17 C18 Rh2 72.2(3) . . ?
C14 C18 Rh2 69.3(2) . . ?
C23 C18 Rh2 128.1(4) . . ?
C14 C19 C24 111.2(5) . . ?
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 114.3(6) . . ?
C25 C24 H24A 108.7 . . ?
C19 C24 H24A 108.7 . . ?
C25 C24 H24B 108.7 . . ?
C19 C24 H24B 108.7 . . ?
H24A C24 H24B 107.6 . . ?
O8 C25 C24 108.9(7) . . ?
O8 C25 H25A 109.9 . . ?
C24 C25 H25A 109.9 . . ?
O8 C25 H25B 109.9 . . ?
C24 C25 H25B 109.9 . . ?
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 79.73(17) . . ?
Rh2 C27 H27A 115.3 . . ?
Rh1 C27 H27A 115.3 . . ?
Rh2 C27 H27B 115.3 . . ?
Rh1 C27 H27B 115.3 . . ?
H27A C27 H27B 112.3 . . ?
Rh2 C28 Rh1 79.97(19) . . ?
Rh2 C28 H28A 115.3 . . ?
Rh1 C28 H28A 115.3 . . ?
Rh2 C28 H28B 115.3 . . ?
Rh1 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 2.048(5) . ?
Rh1 C27 2.054(5) . ?
Rh1 C3 2.216(6) . ?
Rh1 C2 2.232(5) . ?
Rh1 C4 2.232(5) . ?
Rh1 C1 2.255(4) . ?
Rh1 C5 2.263(4) . ?
Rh1 S1 2.2906(11) . ?
Rh1 Rh2 2.6319(4) . ?
Rh2 C28 2.047(6) . ?
Rh2 C27 2.052(5) . ?
Rh2 C15 2.222(5) . ?
Rh2 C14 2.222(5) . ?
Rh2 C16 2.259(5) . ?
Rh2 C18 2.279(4) . ?
Rh2 S2 2.2875(10) . ?
Rh2 C17 2.290(4) . ?
S1 O1 1.450(5) . ?
S1 O2 1.453(5) . ?
S1 S2 2.3358(17) . ?
S2 O4 1.454(5) . ?
S2 O3 1.461(4) . ?
O7 C13 1.377(13) . ?
O7 C12 1.389(15) . ?
O8 C26 1.368(11) . ?
O8 C25 1.412(10) . ?
C1 C2 1.423(7) . ?
C1 C5 1.431(8) . ?
C1 C6 1.488(7) . ?
C2 C3 1.403(9) . ?
C2 C7 1.502(9) . ?
C3 C4 1.425(11) . ?
C3 C8 1.494(10) . ?
C4 C5 1.412(10) . ?
C4 C9 1.497(9) . ?
C5 C10 1.477(9) . ?
C6 C11 1.522(9) . ?
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 1.520(10) . ?
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 1.434(7) . ?
C14 C15 1.442(8) . ?
C14 C19 1.480(8) . ?
C15 C16 1.433(8) . ?
C15 C20 1.498(8) . ?
C16 C17 1.430(7) . ?
C16 C21 1.501(8) . ?
C17 C18 1.425(8) . ?
C17 C22 1.499(8) . ?
C18 C23 1.487(7) . ?
C19 C24 1.541(9) . ?
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 1.503(10) . ?
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 0.9(5) . . . . ?
C6 C1 C2 C3 176.8(5) . . . . ?
Rh1 C1 C2 C3 -62.1(4) . . . . ?
C5 C1 C2 C7 -175.4(5) . . . . ?
C6 C1 C2 C7 0.5(9) . . . . ?
Rh1 C1 C2 C7 121.6(6) . . . . ?
C5 C1 C2 Rh1 62.9(3) . . . . ?
C6 C1 C2 Rh1 -121.1(5) . . . . ?
C1 C2 C3 C4 -0.6(6) . . . . ?
C7 C2 C3 C4 175.7(6) . . . . ?
Rh1 C2 C3 C4 -63.5(4) . . . . ?
C1 C2 C3 C8 -176.6(6) . . . . ?
C7 C2 C3 C8 -0.4(10) . . . . ?
Rh1 C2 C3 C8 120.4(6) . . . . ?
C1 C2 C3 Rh1 63.0(3) . . . . ?
C7 C2 C3 Rh1 -120.8(6) . . . . ?
C2 C3 C4 C5 0.0(6) . . . . ?
C8 C3 C4 C5 175.8(6) . . . . ?
Rh1 C3 C4 C5 -63.7(4) . . . . ?
C2 C3 C4 C9 -175.1(6) . . . . ?
C8 C3 C4 C9 0.8(10) . . . . ?
Rh1 C3 C4 C9 121.2(6) . . . . ?
C2 C3 C4 Rh1 63.7(4) . . . . ?
C8 C3 C4 Rh1 -120.5(7) . . . . ?
C3 C4 C5 C1 0.5(6) . . . . ?
C9 C4 C5 C1 175.4(6) . . . . ?
Rh1 C4 C5 C1 -61.8(3) . . . . ?
C3 C4 C5 C10 -173.9(6) . . . . ?
C9 C4 C5 C10 1.0(10) . . . . ?
Rh1 C4 C5 C10 123.8(6) . . . . ?
C3 C4 C5 Rh1 62.3(4) . . . . ?
C9 C4 C5 Rh1 -122.8(7) . . . . ?
C2 C1 C5 C4 -0.9(5) . . . . ?
C6 C1 C5 C4 -176.9(5) . . . . ?
Rh1 C1 C5 C4 61.3(3) . . . . ?
C2 C1 C5 C10 173.6(6) . . . . ?
C6 C1 C5 C10 -2.5(9) . . . . ?
Rh1 C1 C5 C10 -124.3(6) . . . . ?
C2 C1 C5 Rh1 -62.2(3) . . . . ?
C6 C1 C5 Rh1 121.8(5) . . . . ?
C2 C1 C6 C11 -79.8(9) . . . . ?
C5 C1 C6 C11 95.4(9) . . . . ?
Rh1 C1 C6 C11 -171.7(6) . . . . ?
C1 C6 C11 C12 166.4(9) . . . . ?
C13 O7 C12 C11 176.6(12) . . . . ?
C6 C11 C12 O7 -65.9(12) . . . . ?
C18 C14 C15 C16 1.4(6) . . . . ?
C19 C14 C15 C16 173.4(5) . . . . ?
Rh2 C14 C15 C16 -63.6(3) . . . . ?
C18 C14 C15 C20 -173.8(5) . . . . ?
C19 C14 C15 C20 -1.9(8) . . . . ?
Rh2 C14 C15 C20 121.1(5) . . . . ?
C18 C14 C15 Rh2 65.0(3) . . . . ?
C19 C14 C15 Rh2 -123.0(5) . . . . ?
C14 C15 C16 C17 -1.3(6) . . . . ?
C20 C15 C16 C17 174.2(5) . . . . ?
Rh2 C15 C16 C17 -63.8(3) . . . . ?
C14 C15 C16 C21 -175.1(5) . . . . ?
C20 C15 C16 C21 0.4(8) . . . . ?
Rh2 C15 C16 C21 122.4(5) . . . . ?
C14 C15 C16 Rh2 62.6(3) . . . . ?
C20 C15 C16 Rh2 -122.0(5) . . . . ?
C15 C16 C17 C18 0.7(5) . . . . ?
C21 C16 C17 C18 174.4(5) . . . . ?
Rh2 C16 C17 C18 -61.2(3) . . . . ?
C15 C16 C17 C22 -172.5(5) . . . . ?
C21 C16 C17 C22 1.2(8) . . . . ?
Rh2 C16 C17 C22 125.6(5) . . . . ?
C15 C16 C17 Rh2 61.9(3) . . . . ?
C21 C16 C17 Rh2 -124.4(5) . . . . ?
C16 C17 C18 C14 0.2(5) . . . . ?
C22 C17 C18 C14 173.2(5) . . . . ?
Rh2 C17 C18 C14 -60.5(3) . . . . ?
C16 C17 C18 C23 -174.8(5) . . . . ?
C22 C17 C18 C23 -1.8(8) . . . . ?
Rh2 C17 C18 C23 124.6(6) . . . . ?
C16 C17 C18 Rh2 60.7(3) . . . . ?
C22 C17 C18 Rh2 -126.3(5) . . . . ?
C15 C14 C18 C17 -0.9(5) . . . . ?
C19 C14 C18 C17 -172.7(5) . . . . ?
Rh2 C14 C18 C17 62.4(3) . . . . ?
C15 C14 C18 C23 173.9(5) . . . . ?
C19 C14 C18 C23 2.1(9) . . . . ?
Rh2 C14 C18 C23 -122.7(5) . . . . ?
C15 C14 C18 Rh2 -63.3(3) . . . . ?
C19 C14 C18 Rh2 124.9(5) . . . . ?
C18 C14 C19 C24 87.8(9) . . . . ?
C15 C14 C19 C24 -82.7(8) . . . . ?
Rh2 C14 C19 C24 -174.8(6) . . . . ?
C14 C19 C24 C25 -175.1(7) . . . . ?
C26 O8 C25 C24 -178.9(8) . . . . ?
C19 C24 C25 O8 -70.4(11) . . . . ?