#------------------------------------------------------------------------------
#$Date: 2022-02-04 21:33:56 +0200 (Fri, 04 Feb 2022) $
#$Revision: 272658 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/89/7708927.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_7708927
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 92.909(4)
_cell_angle_gamma 90.0000
_cell_formula_units_Z 4
_cell_length_a 15.1193(5)
_cell_length_b 19.3382(9)
_cell_length_c 10.6585(5)
_cell_measurement_reflns_used 7007
_cell_measurement_temperature 296
_cell_measurement_theta_max 30.59
_cell_measurement_theta_min 3.91
_cell_volume 3112.3(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 0.905
_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 0.0302
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.905
_diffrn_reflns_limit_h_max 21
_diffrn_reflns_limit_h_min -21
_diffrn_reflns_limit_k_max 27
_diffrn_reflns_limit_k_min -27
_diffrn_reflns_limit_l_max 15
_diffrn_reflns_limit_l_min -15
_diffrn_reflns_number 16997
_diffrn_reflns_point_group_measured_fraction_full 0.849
_diffrn_reflns_point_group_measured_fraction_max 0.718
_diffrn_reflns_theta_full 25.242
_diffrn_reflns_theta_max 31.114
_diffrn_reflns_theta_min 2.516
_diffrn_standards_number 0
_exptl_absorpt_coefficient_mu 1.230
_exptl_absorpt_correction_T_max 0.884
_exptl_absorpt_correction_T_min 0.831
_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 yellow-orange
_exptl_crystal_density_diffrn 1.598
_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 0.91
_refine_diff_density_min -0.51
_refine_ls_abs_structure_details
;
Flack x determined using 2186 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack -0.05(4)
_refine_ls_extinction_method none
_refine_ls_goodness_of_fit_ref 1.054
_refine_ls_hydrogen_treatment constr
_refine_ls_number_parameters 371
_refine_ls_number_reflns 7191
_refine_ls_number_restraints 2
_refine_ls_R_factor_all 0.0454
_refine_ls_R_factor_gt 0.0374
_refine_ls_shift/su_max 0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0437P)^2^+7.1415P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme calc
_refine_ls_wR_factor_gt 0.0936
_refine_ls_wR_factor_ref 0.0985
_reflns_Friedel_coverage 0.585
_reflns_Friedel_fraction_full 0.699
_reflns_Friedel_fraction_max 0.531
_reflns_number_gt 6392
_reflns_number_total 7191
_reflns_threshold_expression F^2^>2.0\s(F^2^)
_cod_data_source_file d1dt03347f2.cif
_cod_data_source_block sample3
_cod_depositor_comments
'Adding full bibliography for 7708925--7708931.cif.'
_cod_database_code 7708927
_shelx_res_file
;
shelxl.res created by SHELXL-2014/7
TITL sample3
CELL 0.71075 15.11930 19.33820 10.65850 90.00000 92.90900 90.00000
ZERR 4 0.00050 0.00090 0.00050 0.00000 0.00400 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 0.043700 7.141500
FVAR 0.22289
RH1 3 0.437053 0.142151 0.557138 11.00000 0.03411 0.04263 =
0.03683 -0.00045 0.00491 0.00299
RH2 3 0.510997 0.229394 0.405162 11.00000 0.03037 0.05240 =
0.03898 0.00705 -0.00391 -0.00222
S1 4 0.304623 0.146157 0.444845 11.00000 0.03754 0.10176 =
0.07353 -0.00766 -0.01065 -0.00626
S2 4 0.384761 0.236655 0.279263 11.00000 0.04582 0.10778 =
0.06988 0.02733 -0.02671 -0.01100
O1 5 0.285569 0.092689 0.363673 10.77000 0.06888 0.10473 =
0.09910 -0.02014 -0.00821 -0.03042
O2 5 0.234609 0.177685 0.504159 10.82000 0.04694 0.13817 =
0.12717 -0.04604 -0.01083 0.01735
O3 5 0.389892 0.201692 0.161634 10.98000 0.10137 0.12857 =
0.07824 0.00016 -0.04805 -0.01691
O4 5 0.337424 0.297506 0.284851 10.66000 0.06752 0.14413 =
0.08652 0.01934 -0.02834 0.02697
O5 5 0.321067 0.161828 0.303893 10.25000 0.04407 0.07911 =
0.03183 0.01242 -0.02084 -0.02205
O6 5 0.299111 0.221325 0.359833 10.52000 0.04180 0.11247 =
0.08962 0.03459 -0.02671 -0.00670
O7 5 0.758946 -0.029710 0.614394 11.00000 0.09841 0.18694 =
0.15968 0.03733 0.03964 0.06614
O8 5 0.497752 0.545896 0.334551 11.00000 0.09555 0.07441 =
0.17927 -0.02188 -0.01231 -0.00413
C1 1 0.534478 0.082246 0.685320 11.00000 0.04892 0.05116 =
0.05081 0.01506 0.00744 0.00974
C2 1 0.470594 0.036197 0.633941 11.00000 0.07178 0.04363 =
0.04847 0.00398 0.01201 -0.00293
C3 1 0.385903 0.055210 0.671861 11.00000 0.06721 0.06418 =
0.07304 0.02311 0.00270 -0.00663
C4 1 0.396941 0.114057 0.748342 11.00000 0.06233 0.08548 =
0.05031 0.02002 0.02246 0.02097
C5 1 0.488107 0.131539 0.760154 11.00000 0.10265 0.04525 =
0.03918 0.00107 -0.00483 0.00783
C6 1 0.631294 0.076101 0.676064 11.00000 0.04971 0.08556 =
0.09602 0.04011 0.01018 0.00837
AFIX 23
H6A 2 0.658194 0.120949 0.692457 11.00000 -1.20000
H6B 2 0.643760 0.062877 0.590969 11.00000 -1.20000
AFIX 0
C7 1 0.487811 -0.027137 0.556497 11.00000 0.14967 0.04645 =
0.08322 -0.00744 0.01053 -0.00003
AFIX 137
H7A 2 0.435811 -0.038039 0.504855 11.00000 -1.20000
H7B 2 0.502227 -0.065372 0.611228 11.00000 -1.20000
H7C 2 0.536363 -0.018346 0.504074 11.00000 -1.20000
AFIX 0
C8 1 0.303100 0.015111 0.645998 11.00000 0.07207 0.13792 =
0.14690 0.06509 -0.01359 -0.04080
AFIX 137
H8A 2 0.300207 -0.021973 0.705528 11.00000 -1.20000
H8B 2 0.302729 -0.003559 0.562516 11.00000 -1.20000
H8C 2 0.252889 0.044968 0.653247 11.00000 -1.20000
AFIX 0
C9 1 0.323169 0.147585 0.818197 11.00000 0.13194 0.15050 =
0.08507 0.02957 0.06269 0.07910
AFIX 137
H9A 2 0.334761 0.196178 0.827386 11.00000 -1.20000
H9B 2 0.320310 0.126828 0.899709 11.00000 -1.20000
H9C 2 0.267770 0.140958 0.771686 11.00000 -1.20000
AFIX 0
C10 1 0.528313 0.184474 0.842313 11.00000 0.17216 0.08320 =
0.05474 -0.01140 -0.01721 -0.00307
AFIX 137
H10A 2 0.587545 0.193517 0.818262 11.00000 -1.20000
H10B 2 0.529865 0.168554 0.927708 11.00000 -1.20000
H10C 2 0.493974 0.226167 0.835008 11.00000 -1.20000
AFIX 0
C11 1 0.673507 0.023557 0.766925 11.00000 0.05571 0.12340 =
0.08900 0.04199 0.00718 0.02645
AFIX 23
H11A 2 0.676021 0.042570 0.851247 11.00000 -1.20000
H11B 2 0.637280 -0.017842 0.766849 11.00000 -1.20000
AFIX 0
C12 1 0.765599 0.004964 0.731123 11.00000 0.06152 0.16522 =
0.14135 0.07439 0.01266 0.03418
AFIX 23
H12A 2 0.801103 0.046457 0.724469 11.00000 -1.20000
H12B 2 0.793768 -0.024735 0.794683 11.00000 -1.20000
AFIX 0
C13 1 0.836656 -0.043472 0.563929 11.00000 0.11425 0.49913 =
0.14587 0.10342 0.06456 0.11914
AFIX 137
H13A 2 0.866593 -0.079579 0.611051 11.00000 -1.20000
H13B 2 0.872710 -0.002584 0.566289 11.00000 -1.20000
H13C 2 0.826196 -0.058087 0.478384 11.00000 -1.20000
AFIX 0
C14 1 0.577787 0.331951 0.395884 11.00000 0.03670 0.05170 =
0.08480 -0.01018 0.00942 -0.00977
C15 1 0.579061 0.300259 0.275449 11.00000 0.04017 0.06234 =
0.05485 0.00664 -0.00139 -0.00423
C16 1 0.630539 0.238338 0.288176 11.00000 0.05171 0.05278 =
0.06240 0.00668 0.01834 -0.01000
C17 1 0.663505 0.233878 0.413229 11.00000 0.03185 0.06773 =
0.06569 0.01739 0.00643 -0.00205
C18 1 0.632130 0.290723 0.481651 11.00000 0.03145 0.08235 =
0.06417 -0.00011 -0.00776 -0.01375
C19 1 0.538329 0.400904 0.422944 11.00000 0.04028 0.05809 =
0.12445 -0.01887 0.00056 -0.00819
AFIX 23
H19A 2 0.524767 0.403128 0.510832 11.00000 -1.20000
H19B 2 0.483398 0.406472 0.372900 11.00000 -1.20000
AFIX 0
C20 1 0.541171 0.327293 0.153705 11.00000 0.08024 0.09379 =
0.07087 0.03677 -0.00532 -0.02073
AFIX 137
H20A 2 0.503468 0.366031 0.168864 11.00000 -1.20000
H20B 2 0.507282 0.291613 0.111056 11.00000 -1.20000
H20C 2 0.588295 0.341694 0.102572 11.00000 -1.20000
AFIX 0
C21 1 0.656132 0.191980 0.182022 11.00000 0.09903 0.07322 =
0.10409 -0.01360 0.05152 -0.01052
AFIX 137
H21A 2 0.686967 0.152194 0.215760 11.00000 -1.20000
H21B 2 0.693951 0.216884 0.128175 11.00000 -1.20000
H21C 2 0.603755 0.177376 0.134611 11.00000 -1.20000
AFIX 0
C22 1 0.731481 0.183149 0.460524 11.00000 0.04508 0.11301 =
0.11455 0.05418 0.01646 0.00583
AFIX 137
H22A 2 0.737231 0.185464 0.550540 11.00000 -1.20000
H22B 2 0.787345 0.193932 0.426255 11.00000 -1.20000
H22C 2 0.713664 0.137367 0.435250 11.00000 -1.20000
AFIX 0
C23 1 0.656753 0.308112 0.613698 11.00000 0.04656 0.17666 =
0.07057 -0.01840 -0.00963 -0.01994
AFIX 137
H23A 2 0.619394 0.344717 0.641016 11.00000 -1.20000
H23B 2 0.717446 0.322833 0.620494 11.00000 -1.20000
H23C 2 0.649431 0.268095 0.665452 11.00000 -1.20000
AFIX 0
C24 1 0.602347 0.460248 0.393008 11.00000 0.05019 0.08135 =
0.22033 -0.05515 0.01063 -0.00425
AFIX 23
H24A 2 0.657455 0.453921 0.442311 11.00000 -1.20000
H24B 2 0.615520 0.457755 0.304998 11.00000 -1.20000
AFIX 0
C25 1 0.566608 0.529389 0.419331 11.00000 0.07475 0.06933 =
0.19926 -0.05278 0.00158 -0.02460
AFIX 23
H25A 2 0.545701 0.530307 0.503862 11.00000 -1.20000
H25B 2 0.613257 0.563572 0.414411 11.00000 -1.20000
AFIX 0
C26 1 0.468206 0.610526 0.353920 11.00000 0.16944 0.09270 =
0.11551 0.00760 -0.02444 -0.01504
AFIX 137
H26A 2 0.517591 0.641708 0.361558 11.00000 -1.20000
H26B 2 0.436550 0.611643 0.429725 11.00000 -1.20000
H26C 2 0.429415 0.624297 0.284284 11.00000 -1.20000
AFIX 0
C27 1 0.497361 0.124334 0.392652 11.00000 0.05077 0.05719 =
0.03764 -0.00491 0.00767 -0.00561
AFIX 23
H27A 2 0.552184 0.098291 0.400770 11.00000 -1.20000
H27B 2 0.458615 0.108044 0.323562 11.00000 -1.20000
AFIX 0
C28 1 0.434562 0.247664 0.555816 11.00000 0.04642 0.04375 =
0.05017 0.00370 0.00723 0.00595
AFIX 23
H28A 2 0.464983 0.269765 0.627410 11.00000 -1.20000
H28B 2 0.377109 0.268219 0.535354 11.00000 -1.20000
AFIX 0
HKLF 4
REM sample3
REM R1 = 0.0374 for 6392 Fo > 4sig(Fo) and 0.0454 for all 7191 data
REM 371 parameters refined using 2 restraints
END
WGHT 0.0442 6.9727
REM No hydrogen bonds found for HTAB generation
REM Highest difference peak 0.906, deepest hole -0.511, 1-sigma level 0.084
Q1 1 0.4961 0.2684 0.4160 11.00000 0.05 0.91
Q2 1 0.4672 0.1652 0.5937 11.00000 0.05 0.69
Q3 1 0.3986 0.1611 0.5150 11.00000 0.05 0.64
Q4 1 0.4560 0.1145 0.5282 11.00000 0.05 0.63
Q5 1 0.5127 0.0548 0.4045 11.00000 0.05 0.59
;
_shelx_res_checksum 90343
_shelx_hkl_file
;
0 0 -2 1038.51 31.01
0 0 -3 0.72 0.70
0 0 -4 728.94 22.09
0 0 5 0.13 0.54
0 0 -5 -0.67 1.29
0 0 6 1255.24 37.55
0 0 -6 1347.47 38.11
0 0 -6 1233.92 37.53
0 0 7 -0.86 0.91
0 0 -7 -3.36 2.65
0 0 -7 0.33 0.63
0 0 8 886.08 26.72
0 0 -8 1031.13 31.70
0 0 9 -1.83 1.01
0 0 -9 -7.93 3.86
0 0 10 26.62 1.54
0 0 -10 32.54 4.58
0 0 11 -0.52 0.92
0 0 -11 2.07 4.91
0 0 12 74.38 2.65
0 0 -12 123.83 7.42
0 0 -13 2.30 6.45
0 -2 -1 3651.53 108.32
0 2 2 2420.12 70.80
0 2 2 2341.71 70.83
0 -2 -2 2315.42 69.47
0 -2 -2 2324.62 69.45
0 2 -2 2404.16 69.61
0 -2 3 165.59 5.27
0 2 3 160.46 5.02
0 2 -3 199.70 6.12
0 -2 -3 184.78 5.83
0 -2 -3 190.10 5.87
0 2 4 92.22 3.05
0 2 4 95.79 3.10
0 -2 4 93.80 3.42
0 -2 -4 90.32 2.97
0 2 -4 90.70 3.35
0 2 5 552.26 17.07
0 2 5 581.32 17.11
0 2 -5 590.87 17.93
0 -2 -5 585.88 17.50
0 2 -5 572.93 17.41
0 2 6 432.82 13.58
0 2 6 461.52 13.61
0 2 -6 451.40 13.74
0 -2 -6 439.75 13.10
0 -2 -6 458.84 13.57
0 2 -6 411.23 12.99
0 2 7 384.30 11.80
0 2 -7 408.29 13.33
0 -2 -7 408.70 13.12
0 2 8 388.69 11.96
0 2 -8 424.28 12.19
0 -2 -8 423.97 11.92
0 2 9 149.25 5.09
0 -2 9 166.02 5.29
0 -2 -9 192.14 7.37
0 2 -9 170.23 7.57
0 -2 10 52.40 2.35
0 2 10 50.14 2.06
0 -2 -10 66.28 5.16
0 2 -10 68.62 5.63
0 -2 11 66.09 2.51
0 2 11 51.44 2.12
0 2 -11 80.28 6.32
0 -2 -11 72.63 5.76
0 -2 12 26.53 1.65
0 2 -12 34.39 6.32
0 -2 -12 31.70 5.66
0 -2 13 21.64 1.30
0 -2 -13 38.30 6.55
0 -2 -14 39.01 7.19
0 -4 0 305.87 9.48
0 4 0 299.57 9.47
0 -4 0 318.60 9.40
0 4 0 310.31 9.39
0 -4 1 897.99 26.84
0 -4 1 889.08 26.80
0 4 2 920.21 28.01
0 -4 2 952.34 28.16
0 -4 -2 991.71 29.70
0 4 3 1513.05 44.78
0 -4 3 1473.81 45.01
0 -4 -3 1530.22 45.02
0 4 -3 1471.03 45.27
0 4 4 807.14 24.41
0 -4 4 822.84 24.75
0 -4 -4 817.83 24.92
0 4 -4 855.84 25.31
0 4 5 493.79 15.19
0 -4 5 513.92 15.66
0 -4 -5 502.24 15.38
0 4 -5 515.28 15.86
0 4 6 221.66 6.92
0 4 6 209.02 6.78
0 -4 6 216.99 7.34
0 4 -6 212.82 7.59
0 4 7 310.47 9.80
0 4 7 323.50 9.93
0 4 -7 328.32 10.76
0 4 -7 311.08 9.64
0 4 8 369.57 11.39
0 4 8 367.61 11.50
0 4 -8 398.12 12.14
0 -4 -8 378.09 11.62
0 4 9 17.95 1.30
0 -4 -9 22.22 3.82
0 4 -9 28.80 4.61
0 -4 -10 336.13 12.05
0 4 -10 361.06 12.66
0 -4 11 9.57 1.59
0 -4 -11 14.28 4.89
0 -4 12 22.25 1.77
0 -4 -12 28.42 5.37
0 -4 13 16.50 1.49
0 -4 -13 29.18 5.94
0 -6 0 47.95 1.96
0 6 0 45.72 1.93
0 6 0 47.98 1.78
0 -6 1 989.79 30.61
0 -6 1 1052.93 30.71
0 6 -1 1047.94 31.58
0 -6 2 1488.70 44.44
0 6 2 1471.56 44.32
0 6 -2 1480.47 44.48
0 -6 3 1233.74 37.10
0 6 3 1221.84 36.89
0 -6 -3 1229.89 36.91
0 6 4 579.76 17.29
0 -6 4 542.28 17.49
0 -6 4 560.01 17.62
0 -6 -4 596.42 18.17
0 -6 5 554.82 17.40
0 -6 5 555.92 17.63
0 -6 -5 545.94 16.69
0 -6 6 48.29 2.56
0 -6 6 44.90 3.48
0 -6 -6 50.39 2.09
0 6 7 60.38 2.68
0 -6 7 69.53 3.32
0 -6 -7 55.87 2.31
0 6 8 160.88 5.57
0 6 9 286.45 9.29
0 6 -9 280.05 8.68
0 6 10 158.36 5.57
0 6 -10 120.03 4.00
0 -6 -10 196.06 6.64
0 -6 -11 102.79 6.37
0 -6 -12 17.47 5.25
0 -6 13 0.68 1.54
0 -6 -13 -4.82 5.89
0 8 0 924.43 27.92
0 8 0 918.21 27.72
0 8 1 790.95 24.46
0 8 1 823.01 24.20
0 -8 1 798.56 24.41
0 -8 1 791.93 24.52
0 8 -1 811.95 24.73
0 -8 2 321.58 10.06
0 8 2 308.30 9.98
0 -8 2 311.08 10.10
0 8 -2 325.63 10.43
0 -8 3 1307.73 39.47
0 -8 3 1308.53 39.41
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-10 -6 8 2.38 1.80
-10 -6 8 -1.64 3.53
-10 6 8 1.46 3.20
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-10 -6 7 68.26 4.55
-10 6 7 67.34 4.35
-10 -6 7 64.99 2.82
10 6 -6 150.74 6.46
-10 -6 6 136.33 6.25
-10 -6 6 143.17 5.16
-10 6 6 135.07 4.98
10 6 -5 242.08 8.93
10 6 -5 241.70 8.83
-10 -6 5 240.25 7.97
-10 6 5 229.32 7.48
-10 6 5 249.28 8.92
-10 -6 5 236.36 8.72
10 6 -4 318.98 10.85
10 6 -4 312.96 10.77
10 -6 -4 300.29 10.65
10 -6 -4 311.16 10.04
-10 -6 4 305.42 10.59
10 6 -3 422.17 13.87
10 6 -3 411.96 13.76
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10 6 -2 7.75 3.42
10 6 -2 9.87 1.89
-10 6 2 8.74 1.21
-10 6 2 4.50 2.75
10 6 -1 29.55 2.36
10 -6 -1 26.28 2.13
-10 6 1 28.25 3.30
-10 6 1 27.07 1.80
10 6 0 250.72 8.52
10 -6 0 267.14 8.44
10 6 0 262.73 8.98
-10 6 0 258.70 8.99
-10 6 0 242.53 8.35
10 6 1 384.93 12.90
10 6 1 398.99 13.17
10 -6 1 384.27 12.66
-10 6 -1 412.70 13.45
-10 6 -1 398.62 13.08
10 -6 2 117.88 4.64
-10 6 -2 121.48 5.05
-10 6 -2 125.05 5.66
10 -6 3 114.24 4.48
-10 6 -3 110.94 4.98
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10 -6 4 70.92 3.17
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10 -6 5 6.18 1.48
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10 -6 6 96.84 3.95
-10 -6 -6 79.30 3.45
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10 -6 7 166.04 5.83
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10 -6 8 100.48 3.81
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-10 -8 9 18.08 2.58
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10 8 -6 20.23 2.91
10 8 -6 17.32 2.91
10 -8 -6 24.07 2.52
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10 -8 -5 365.33 12.58
10 8 -5 364.33 12.79
10 8 -5 374.00 12.48
-10 -8 5 386.82 12.41
-10 -8 5 377.81 13.27
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10 -8 -4 47.99 2.30
10 8 -4 46.33 4.42
10 -8 -4 49.05 3.21
10 8 -4 51.40 3.42
10 8 -4 53.66 3.48
-10 -8 4 50.13 3.83
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10 -8 -3 164.47 5.59
10 8 -3 152.24 6.52
10 8 -3 177.50 6.67
10 8 -3 165.74 7.11
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10 8 -2 270.84 10.04
10 8 -2 276.98 9.70
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10 8 -1 117.64 5.03
10 -8 -1 112.47 4.74
10 8 -1 106.05 5.74
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10 8 0 70.44 3.83
10 -8 0 77.89 3.61
10 8 0 72.07 4.82
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10 8 1 292.67 10.52
10 -8 1 281.45 9.82
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10 -8 2 13.62 1.88
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10 -8 5 13.85 1.97
10 8 5 9.65 3.91
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10 -8 8 -0.70 1.48
-10 -8 -8 -1.22 2.79
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-10 -10 10 47.39 3.75
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-10 -10 9 56.84 3.98
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10 -10 -5 3.75 2.07
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10 -10 -4 210.45 8.05
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10 -10 -1 179.76 6.80
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10 -10 0 97.95 4.29
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10 -10 1 72.07 3.45
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10 -10 2 79.58 3.78
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10 12 -3 320.14 11.14
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10 12 -2 43.05 3.47
10 12 -2 37.59 5.30
10 12 -2 43.92 3.58
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10 -12 -1 477.28 16.11
10 12 -1 486.11 16.78
10 12 -1 503.87 16.49
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10 -12 0 -0.75 1.91
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10 12 2 0.58 4.79
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10 -12 2 4.27 2.26
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10 -12 3 156.76 6.32
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10 -12 5 393.66 13.34
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10 -12 8 0.80 2.28
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10 14 -5 23.09 5.71
10 -14 -5 27.30 3.12
10 14 -5 35.46 3.58
10 14 -5 29.93 3.42
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10 14 -4 43.51 3.73
10 -14 -4 34.98 3.23
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10 14 -3 46.01 3.85
10 -14 -3 45.25 3.46
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10 14 1 55.57 6.05
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10 -14 2 18.44 2.59
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10 -14 2 18.58 2.44
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10 -14 3 74.25 4.44
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10 -14 4 104.53 5.98
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10 -14 8 13.02 2.63
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10 -14 9 13.10 2.57
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10 -16 -8 3.66 2.94
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10 -16 -6 3.72 2.91
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10 -16 -4 7.45 2.73
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10 16 -4 8.64 3.39
10 16 -3 75.25 4.66
10 16 -3 71.01 7.04
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10 16 -2 9.32 2.74
10 -16 -1 9.58 1.01
10 16 -1 16.13 2.89
10 16 -1 10.80 6.03
10 -16 -1 5.73 2.82
10 16 0 12.99 2.73
10 -16 0 8.05 2.65
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10 16 1 159.80 8.72
10 -16 1 159.97 6.86
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10 16 2 8.73 5.88
10 -16 2 24.81 3.09
10 -16 3 92.81 4.76
10 -16 3 82.29 4.97
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10 -16 4 5.40 2.53
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10 -16 7 61.23 7.74
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10 18 -4 57.70 7.81
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10 -18 1 25.30 3.41
10 18 1 27.24 7.03
10 18 1 30.48 4.00
10 18 1 29.97 3.58
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10 18 2 70.12 7.75
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10 20 1 10.65 7.72
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10 -20 1 9.30 3.35
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10 20 2 30.40 3.84
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10 20 3 9.85 3.23
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10 22 -1 14.39 3.93
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-11 -1 13 30.92 5.21
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-11 -1 12 3.86 4.10
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-11 -1 11 -5.09 3.90
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-11 -1 10 5.96 3.67
-11 -1 10 8.72 3.17
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20 -4 -3 27.17 3.85
20 4 -3 30.90 3.88
20 4 -3 26.44 4.14
-20 4 3 23.57 3.91
20 4 -2 25.70 3.71
-20 -4 2 23.32 4.00
-20 -4 2 17.65 7.86
-20 4 2 25.39 3.90
-20 4 2 18.90 8.05
20 4 -1 0.09 3.23
-20 -4 1 -3.90 7.66
-20 -4 1 0.23 3.35
-20 4 1 0.59 3.38
-20 4 1 -0.57 7.89
20 4 0 73.71 4.96
-20 -4 0 68.41 8.54
-20 4 0 74.67 8.86
-20 4 0 84.61 5.47
-20 -4 0 78.21 5.33
20 4 1 7.23 3.54
-20 -4 -1 6.22 7.66
-20 4 -1 10.76 7.75
20 4 2 26.84 4.01
-20 4 -2 31.03 4.76
-20 4 -2 21.44 8.03
-20 -4 -2 22.35 7.74
20 4 3 31.99 4.38
-20 -4 -3 25.73 7.56
-20 4 -3 32.63 7.99
-20 4 -3 40.17 5.70
20 4 4 22.49 4.21
20 4 5 9.64 4.23
-20 6 5 38.55 4.50
-20 6 4 0.66 3.62
20 6 -3 0.72 3.51
-20 6 3 -1.93 3.68
20 6 -2 27.41 4.04
-20 6 2 35.07 4.37
-20 -6 2 30.92 8.47
20 6 -1 44.28 4.37
-20 6 1 46.33 8.50
-20 -6 1 46.19 8.53
20 6 0 21.55 3.98
-20 6 0 19.80 8.03
-20 6 0 20.43 3.60
-20 -6 0 20.95 8.25
20 6 1 26.09 4.19
-20 6 -1 27.81 4.07
-20 -6 -1 34.05 8.10
-20 6 -1 38.28 8.26
20 6 2 17.35 3.95
-20 -6 -2 8.17 7.59
-20 6 -2 12.22 4.30
-20 6 -2 16.43 8.13
20 6 3 6.76 3.81
-20 6 -3 4.89 7.99
-20 6 -3 1.01 4.93
20 6 4 12.73 4.25
20 8 -4 35.59 4.65
-20 -8 4 34.75 4.61
20 8 -3 3.34 3.82
20 8 -2 7.12 3.83
20 8 -1 45.89 4.69
-20 -8 1 38.03 8.54
20 8 0 0.71 3.73
-20 -8 0 -0.64 7.88
20 8 1 45.51 4.76
-20 8 -1 30.84 4.14
-20 -8 -1 39.06 8.38
-20 8 -1 31.46 8.64
20 8 2 23.95 4.39
-20 -8 -2 29.06 8.11
-20 8 -2 25.32 8.52
-20 8 -2 23.33 4.60
-20 8 -3 2.37 8.58
-20 8 -3 3.99 4.88
20 10 -3 43.78 5.08
20 10 -2 2.89 4.15
20 10 -1 6.55 4.08
20 10 0 -2.44 4.30
-20 -10 -1 6.91 8.03
-21 -1 5 10.39 3.74
-21 1 5 10.46 3.87
21 -1 -4 6.93 3.89
21 1 -4 6.51 3.95
-21 1 4 3.30 3.77
-21 -1 4 8.72 3.72
21 1 -3 41.99 4.84
21 -1 -3 57.13 4.75
-21 -1 3 49.26 4.77
-21 -1 0 15.48 8.27
-21 1 0 10.09 8.25
-21 1 -1 2.46 8.24
-21 -1 -1 0.63 7.96
-21 -1 -2 10.36 8.11
-21 1 -2 16.20 8.18
-21 3 5 31.95 4.40
21 -3 -3 10.61 3.60
-21 -3 0 -0.22 8.15
-21 -3 -1 41.71 8.83
-21 3 -1 48.12 8.91
-21 -3 -2 24.88 8.35
-21 3 -2 18.55 8.71
-21 -5 0 8.42 8.30
-21 -5 -1 52.21 8.95
-21 5 -2 9.41 8.33
-21 5 -2 7.75 4.65
21 7 1 11.49 4.27
-21 -7 -1 15.30 8.47
0 0 0 0.00 0.00
_computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)'
;
_shelx_hkl_checksum 61941
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 0.43705(3) 0.14215(2) 0.55714(4) 0.03775(11) Uani 1 1 d . . . . .
Rh2 Rh 0.51100(3) 0.22939(3) 0.40516(4) 0.04077(12) Uani 1 1 d . . . . .
S1 S 0.30462(13) 0.14616(14) 0.4448(2) 0.0714(6) Uani 1 1 d . . . . .
S2 S 0.38476(14) 0.23666(16) 0.2793(2) 0.0755(7) Uani 1 1 d . . . . .
O1 O 0.2856(7) 0.0927(6) 0.3637(11) 0.091(3) Uani 0.77 1 d . . P . .
O2 O 0.2346(6) 0.1777(6) 0.5042(12) 0.105(4) Uani 0.82 1 d . . P . .
O3 O 0.3899(6) 0.2017(5) 0.1616(8) 0.105(3) Uani 0.98 1 d . . P . .
O4 O 0.3374(8) 0.2975(8) 0.2849(12) 0.100(4) Uani 0.66 1 d . . P . .
O5 O 0.3211(13) 0.1618(13) 0.3039(18) 0.052(5) Uani 0.25 1 d . . P . .
O6 O 0.2991(8) 0.2213(8) 0.3598(14) 0.082(4) Uani 0.52 1 d . . P . .
O7 O 0.7589(7) -0.0297(8) 0.6144(14) 0.147(5) Uani 1 1 d . . . . .
O8 O 0.4978(7) 0.5459(5) 0.3346(11) 0.117(3) Uani 1 1 d . . . . .
C1 C 0.5345(5) 0.0822(4) 0.6853(7) 0.0501(16) Uani 1 1 d . . . . .
C2 C 0.4706(6) 0.0362(4) 0.6339(7) 0.0543(18) Uani 1 1 d . . . . .
C3 C 0.3859(7) 0.0552(5) 0.6719(10) 0.068(2) Uani 1 1 d . . . . .
C4 C 0.3969(6) 0.1141(5) 0.7483(8) 0.065(2) Uani 1 1 d . . . . .
C5 C 0.4881(7) 0.1315(4) 0.7602(7) 0.063(2) Uani 1 1 d . . . . .
C6 C 0.6313(6) 0.0761(6) 0.6761(12) 0.077(3) Uani 1 1 d . . . . .
H6A H 0.6582 0.1209 0.6925 0.092 Uiso 1 1 calc R U . . .
H6B H 0.6438 0.0629 0.5910 0.092 Uiso 1 1 calc R U . . .
C7 C 0.4878(10) -0.0271(5) 0.5565(11) 0.093(4) Uani 1 1 d . . . . .
H7A H 0.4358 -0.0380 0.5049 0.112 Uiso 1 1 calc R U . . .
H7B H 0.5022 -0.0654 0.6112 0.112 Uiso 1 1 calc R U . . .
H7C H 0.5364 -0.0183 0.5041 0.112 Uiso 1 1 calc R U . . .
C8 C 0.3031(8) 0.0151(8) 0.6460(16) 0.120(6) Uani 1 1 d . . . . .
H8A H 0.3002 -0.0220 0.7055 0.144 Uiso 1 1 calc R U . . .
H8B H 0.3027 -0.0036 0.5625 0.144 Uiso 1 1 calc R U . . .
H8C H 0.2529 0.0450 0.6532 0.144 Uiso 1 1 calc R U . . .
C9 C 0.3232(10) 0.1476(8) 0.8182(13) 0.121(6) Uani 1 1 d . . . . .
H9A H 0.3348 0.1962 0.8274 0.145 Uiso 1 1 calc R U . . .
H9B H 0.3203 0.1268 0.8997 0.145 Uiso 1 1 calc R U . . .
H9C H 0.2678 0.1410 0.7717 0.145 Uiso 1 1 calc R U . . .
C10 C 0.5283(12) 0.1845(6) 0.8423(10) 0.104(4) Uani 1 1 d . . . . .
H10A H 0.5875 0.1935 0.8183 0.125 Uiso 1 1 calc R U . . .
H10B H 0.5299 0.1686 0.9277 0.125 Uiso 1 1 calc R U . . .
H10C H 0.4940 0.2262 0.8350 0.125 Uiso 1 1 calc R U . . .
C11 C 0.6735(6) 0.0236(7) 0.7669(11) 0.089(3) Uani 1 1 d . . . . .
H11A H 0.6760 0.0426 0.8512 0.107 Uiso 1 1 calc R U . . .
H11B H 0.6373 -0.0178 0.7668 0.107 Uiso 1 1 calc R U . . .
C12 C 0.7656(8) 0.0050(10) 0.7311(17) 0.122(6) Uani 1 1 d . . . . .
H12A H 0.8011 0.0465 0.7245 0.147 Uiso 1 1 calc R U . . .
H12B H 0.7938 -0.0247 0.7947 0.147 Uiso 1 1 calc R U . . .
C13 C 0.8367(13) -0.0435(19) 0.564(2) 0.251(19) Uani 1 1 d . . . . .
H13A H 0.8666 -0.0796 0.6111 0.301 Uiso 1 1 calc R U . . .
H13B H 0.8727 -0.0026 0.5663 0.301 Uiso 1 1 calc R U . . .
H13C H 0.8262 -0.0581 0.4784 0.301 Uiso 1 1 calc R U . . .
C14 C 0.5778(5) 0.3320(4) 0.3959(9) 0.0575(19) Uani 1 1 d . . . . .
C15 C 0.5791(5) 0.3003(4) 0.2754(8) 0.0526(17) Uani 1 1 d . . . . .
C16 C 0.6305(5) 0.2383(4) 0.2882(8) 0.0551(18) Uani 1 1 d . . . . .
C17 C 0.6635(4) 0.2339(4) 0.4132(8) 0.0550(18) Uani 1 1 d . . . . .
C18 C 0.6321(5) 0.2907(5) 0.4817(8) 0.0597(19) Uani 1 1 d . . . . .
C19 C 0.5383(5) 0.4009(5) 0.4229(12) 0.074(3) Uani 1 1 d . . . . .
H19A H 0.5248 0.4031 0.5108 0.089 Uiso 1 1 calc R U . . .
H19B H 0.4834 0.4065 0.3729 0.089 Uiso 1 1 calc R U . . .
C20 C 0.5412(7) 0.3273(6) 0.1537(10) 0.082(3) Uani 1 1 d . . . . .
H20A H 0.5035 0.3660 0.1689 0.098 Uiso 1 1 calc R U . . .
H20B H 0.5073 0.2916 0.1111 0.098 Uiso 1 1 calc R U . . .
H20C H 0.5883 0.3417 0.1026 0.098 Uiso 1 1 calc R U . . .
C21 C 0.6561(9) 0.1920(6) 0.1820(12) 0.091(4) Uani 1 1 d . . . . .
H21A H 0.6870 0.1522 0.2158 0.109 Uiso 1 1 calc R U . . .
H21B H 0.6940 0.2169 0.1282 0.109 Uiso 1 1 calc R U . . .
H21C H 0.6038 0.1774 0.1346 0.109 Uiso 1 1 calc R U . . .
C22 C 0.7315(6) 0.1831(7) 0.4605(13) 0.090(4) Uani 1 1 d . . . . .
H22A H 0.7372 0.1855 0.5505 0.109 Uiso 1 1 calc R U . . .
H22B H 0.7873 0.1939 0.4263 0.109 Uiso 1 1 calc R U . . .
H22C H 0.7137 0.1374 0.4353 0.109 Uiso 1 1 calc R U . . .
C23 C 0.6568(7) 0.3081(8) 0.6137(11) 0.098(4) Uani 1 1 d . . . . .
H23A H 0.6194 0.3447 0.6410 0.118 Uiso 1 1 calc R U . . .
H23B H 0.7174 0.3228 0.6205 0.118 Uiso 1 1 calc R U . . .
H23C H 0.6494 0.2681 0.6655 0.118 Uiso 1 1 calc R U . . .
C24 C 0.6023(7) 0.4602(6) 0.3930(18) 0.117(6) Uani 1 1 d . . . . .
H24A H 0.6575 0.4539 0.4423 0.141 Uiso 1 1 calc R U . . .
H24B H 0.6155 0.4578 0.3050 0.141 Uiso 1 1 calc R U . . .
C25 C 0.5666(8) 0.5294(6) 0.4193(18) 0.115(5) Uani 1 1 d . . . . .
H25A H 0.5457 0.5303 0.5039 0.138 Uiso 1 1 calc R U . . .
H25B H 0.6133 0.5636 0.4144 0.138 Uiso 1 1 calc R U . . .
C26 C 0.4682(13) 0.6105(8) 0.3539(15) 0.127(6) Uani 1 1 d . . . . .
H26A H 0.5176 0.6417 0.3616 0.152 Uiso 1 1 calc R U . . .
H26B H 0.4365 0.6116 0.4297 0.152 Uiso 1 1 calc R U . . .
H26C H 0.4294 0.6243 0.2843 0.152 Uiso 1 1 calc R U . . .
C27 C 0.4974(5) 0.1243(4) 0.3927(7) 0.0483(17) Uani 1 1 d . . . . .
H27A H 0.5522 0.0983 0.4008 0.058 Uiso 1 1 calc R U . . .
H27B H 0.4586 0.1080 0.3236 0.058 Uiso 1 1 calc R U . . .
C28 C 0.4346(6) 0.2477(4) 0.5558(9) 0.0466(13) Uani 1 1 d . . . . .
H28A H 0.4650 0.2698 0.6274 0.056 Uiso 1 1 calc R U . . .
H28B H 0.3771 0.2682 0.5354 0.056 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 0.0341(2) 0.0426(2) 0.0368(2) -0.0005(2) 0.00491(17) 0.0030(2)
Rh2 0.03037(19) 0.0524(3) 0.0390(2) 0.0071(2) -0.00391(17) -0.0022(2)
S1 0.0375(8) 0.1018(18) 0.0735(15) -0.0077(12) -0.0107(9) -0.0063(10)
S2 0.0458(10) 0.1078(19) 0.0699(14) 0.0273(13) -0.0267(10) -0.0110(11)
O1 0.069(5) 0.105(7) 0.099(7) -0.020(6) -0.008(5) -0.030(5)
O2 0.047(4) 0.138(9) 0.127(9) -0.046(7) -0.011(5) 0.017(5)
O3 0.101(6) 0.129(7) 0.078(5) 0.000(5) -0.048(5) -0.017(5)
O4 0.068(7) 0.144(12) 0.087(8) 0.019(8) -0.028(6) 0.027(7)
O5 0.044(10) 0.079(15) 0.032(9) 0.012(9) -0.021(8) -0.022(10)
O6 0.042(6) 0.112(11) 0.090(9) 0.035(9) -0.027(6) -0.007(6)
O7 0.098(7) 0.187(12) 0.160(11) 0.037(9) 0.040(8) 0.066(7)
O8 0.096(6) 0.074(5) 0.179(10) -0.022(5) -0.012(6) -0.004(4)
C1 0.049(3) 0.051(4) 0.051(4) 0.015(3) 0.007(3) 0.010(3)
C2 0.072(5) 0.044(4) 0.048(4) 0.004(3) 0.012(4) -0.003(3)
C3 0.067(5) 0.064(5) 0.073(6) 0.023(4) 0.003(4) -0.007(4)
C4 0.062(5) 0.085(6) 0.050(4) 0.020(4) 0.022(4) 0.021(4)
C5 0.103(7) 0.045(4) 0.039(4) 0.001(3) -0.005(4) 0.008(4)
C6 0.050(4) 0.086(7) 0.096(7) 0.040(6) 0.010(5) 0.008(4)
C7 0.150(11) 0.046(4) 0.083(7) -0.007(4) 0.011(7) 0.000(6)
C8 0.072(7) 0.138(12) 0.147(13) 0.065(10) -0.014(8) -0.041(7)
C9 0.132(11) 0.150(12) 0.085(8) 0.030(8) 0.063(8) 0.079(10)
C10 0.172(14) 0.083(8) 0.055(6) -0.011(5) -0.017(7) -0.003(8)
C11 0.056(5) 0.123(9) 0.089(7) 0.042(6) 0.007(5) 0.026(5)
C12 0.062(6) 0.165(15) 0.141(13) 0.074(12) 0.013(8) 0.034(8)
C13 0.114(14) 0.50(6) 0.146(18) 0.10(3) 0.065(14) 0.12(2)
C14 0.037(3) 0.052(4) 0.085(6) -0.010(4) 0.009(3) -0.010(3)
C15 0.040(3) 0.062(4) 0.055(4) 0.007(3) -0.001(3) -0.004(3)
C16 0.052(4) 0.053(4) 0.062(5) 0.007(3) 0.018(4) -0.010(3)
C17 0.032(3) 0.068(5) 0.066(5) 0.017(4) 0.006(3) -0.002(3)
C18 0.031(3) 0.082(5) 0.064(5) 0.000(4) -0.008(3) -0.014(3)
C19 0.040(3) 0.058(5) 0.124(8) -0.019(5) 0.001(5) -0.008(3)
C20 0.080(6) 0.094(7) 0.071(6) 0.037(5) -0.005(5) -0.021(5)
C21 0.099(8) 0.073(6) 0.104(9) -0.014(6) 0.052(7) -0.011(6)
C22 0.045(4) 0.113(9) 0.115(9) 0.054(7) 0.016(5) 0.006(5)
C23 0.047(5) 0.177(14) 0.071(7) -0.018(7) -0.010(5) -0.020(6)
C24 0.050(5) 0.081(7) 0.220(18) -0.055(9) 0.011(7) -0.004(5)
C25 0.075(7) 0.069(7) 0.199(16) -0.053(8) 0.002(9) -0.025(6)
C26 0.169(16) 0.093(10) 0.116(12) 0.008(8) -0.024(11) -0.015(10)
C27 0.051(4) 0.057(4) 0.038(4) -0.005(3) 0.008(3) -0.006(3)
C28 0.046(3) 0.044(3) 0.050(4) 0.004(3) 0.007(3) 0.006(3)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
Rh Rh -1.1178 0.9187
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
S S 0.1246 0.1234
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C28 Rh1 C27 99.9(4) . . ?
C28 Rh1 C4 104.2(4) . . ?
C27 Rh1 C4 154.0(3) . . ?
C28 Rh1 C3 138.4(4) . . ?
C27 Rh1 C3 121.5(4) . . ?
C4 Rh1 C3 36.7(4) . . ?
C28 Rh1 C2 156.2(4) . . ?
C27 Rh1 C2 93.2(3) . . ?
C4 Rh1 C2 60.8(3) . . ?
C3 Rh1 C2 36.6(3) . . ?
C28 Rh1 C5 95.9(3) . . ?
C27 Rh1 C5 131.1(4) . . ?
C4 Rh1 C5 36.8(4) . . ?
C3 Rh1 C5 61.4(4) . . ?
C2 Rh1 C5 60.8(3) . . ?
C28 Rh1 C1 121.6(3) . . ?
C27 Rh1 C1 97.2(3) . . ?
C4 Rh1 C1 61.5(3) . . ?
C3 Rh1 C1 61.4(3) . . ?
C2 Rh1 C1 36.1(3) . . ?
C5 Rh1 C1 37.1(3) . . ?
C28 Rh1 S1 87.0(3) . . ?
C27 Rh1 S1 88.5(2) . . ?
C4 Rh1 S1 102.5(3) . . ?
C3 Rh1 S1 89.6(3) . . ?
C2 Rh1 S1 113.4(2) . . ?
C5 Rh1 S1 138.6(3) . . ?
C1 Rh1 S1 149.0(2) . . ?
C28 Rh1 Rh2 50.4(3) . . ?
C27 Rh1 Rh2 50.0(2) . . ?
C4 Rh1 Rh2 150.1(3) . . ?
C3 Rh1 Rh2 171.2(3) . . ?
C2 Rh1 Rh2 135.4(2) . . ?
C5 Rh1 Rh2 120.7(2) . . ?
C1 Rh1 Rh2 114.49(18) . . ?
S1 Rh1 Rh2 92.54(7) . . ?
C27 Rh2 C28 99.4(3) . . ?
C27 Rh2 C14 157.6(3) . . ?
C28 Rh2 C14 98.9(3) . . ?
C27 Rh2 C15 128.1(3) . . ?
C28 Rh2 C15 132.3(3) . . ?
C14 Rh2 C15 37.2(3) . . ?
C27 Rh2 C16 97.0(3) . . ?
C28 Rh2 C16 156.5(3) . . ?
C14 Rh2 C16 61.9(3) . . ?
C15 Rh2 C16 37.2(3) . . ?
C27 Rh2 S2 86.8(2) . . ?
C28 Rh2 S2 87.8(3) . . ?
C14 Rh2 S2 106.6(2) . . ?
C15 Rh2 S2 89.8(2) . . ?
C16 Rh2 S2 109.9(2) . . ?
C27 Rh2 C18 127.7(3) . . ?
C28 Rh2 C18 96.0(3) . . ?
C14 Rh2 C18 37.0(3) . . ?
C15 Rh2 C18 61.2(3) . . ?
C16 Rh2 C18 60.6(3) . . ?
S2 Rh2 C18 143.7(2) . . ?
C27 Rh2 C17 97.9(3) . . ?
C28 Rh2 C17 124.4(4) . . ?
C14 Rh2 C17 60.9(3) . . ?
C15 Rh2 C17 60.6(3) . . ?
C16 Rh2 C17 35.8(3) . . ?
S2 Rh2 C17 145.6(2) . . ?
C18 Rh2 C17 35.8(3) . . ?
C27 Rh2 Rh1 50.1(2) . . ?
C28 Rh2 Rh1 49.85(19) . . ?
C14 Rh2 Rh1 143.7(2) . . ?
C15 Rh2 Rh1 177.4(2) . . ?
C16 Rh2 Rh1 140.2(2) . . ?
S2 Rh2 Rh1 91.87(6) . . ?
C18 Rh2 Rh1 118.0(2) . . ?
C17 Rh2 Rh1 117.22(19) . . ?
O1 S1 O2 118.3(6) . . ?
O1 S1 O5 65.1(10) . . ?
O2 S1 O5 120.7(11) . . ?
O1 S1 O6 107.7(8) . . ?
O2 S1 O6 81.5(8) . . ?
O5 S1 O6 48.2(10) . . ?
O1 S1 Rh1 117.2(5) . . ?
O2 S1 Rh1 116.2(4) . . ?
O5 S1 Rh1 109.4(7) . . ?
O6 S1 Rh1 108.9(4) . . ?
O4 S2 O3 119.5(7) . . ?
O4 S2 O6 72.7(8) . . ?
O3 S2 O6 117.4(7) . . ?
O4 S2 O5 113.9(11) . . ?
O3 S2 O5 78.3(8) . . ?
O6 S2 O5 46.6(9) . . ?
O4 S2 Rh2 116.6(6) . . ?
O3 S2 Rh2 113.9(4) . . ?
O6 S2 Rh2 110.2(4) . . ?
O5 S2 Rh2 108.0(6) . . ?
S1 O1 O5 63.4(9) . . ?
S2 O4 O6 59.8(7) . . ?
O6 O5 S1 71.7(12) . . ?
O6 O5 O1 116.5(16) . . ?
S1 O5 O1 51.5(7) . . ?
O6 O5 S2 60.9(11) . . ?
S1 O5 S2 114.6(12) . . ?
O1 O5 S2 161.6(12) . . ?
O5 O6 S2 72.5(12) . . ?
O5 O6 S1 60.1(10) . . ?
S2 O6 S1 114.7(8) . . ?
O5 O6 O4 114.5(14) . . ?
S2 O6 O4 47.5(6) . . ?
S1 O6 O4 158.2(8) . . ?
C13 O7 C12 115.0(19) . . ?
C26 O8 C25 111.0(11) . . ?
C2 C1 C5 106.8(7) . . ?
C2 C1 C6 126.0(8) . . ?
C5 C1 C6 126.8(9) . . ?
C2 C1 Rh1 71.2(4) . . ?
C5 C1 Rh1 71.2(4) . . ?
C6 C1 Rh1 127.9(6) . . ?
C1 C2 C3 109.8(7) . . ?
C1 C2 C7 126.5(9) . . ?
C3 C2 C7 123.6(9) . . ?
C1 C2 Rh1 72.7(4) . . ?
C3 C2 Rh1 71.1(5) . . ?
C7 C2 Rh1 125.6(6) . . ?
C4 C3 C2 107.1(8) . . ?
C4 C3 C8 127.2(11) . . ?
C2 C3 C8 125.4(11) . . ?
C4 C3 Rh1 71.0(5) . . ?
C2 C3 Rh1 72.3(5) . . ?
C8 C3 Rh1 127.0(8) . . ?
C3 C4 C5 109.3(7) . . ?
C3 C4 C9 124.2(11) . . ?
C5 C4 C9 126.1(11) . . ?
C3 C4 Rh1 72.3(5) . . ?
C5 C4 Rh1 73.4(4) . . ?
C9 C4 Rh1 125.9(7) . . ?
C4 C5 C1 106.9(7) . . ?
C4 C5 C10 126.4(10) . . ?
C1 C5 C10 126.5(11) . . ?
C4 C5 Rh1 69.8(5) . . ?
C1 C5 Rh1 71.6(4) . . ?
C10 C5 Rh1 128.3(7) . . ?
C1 C6 C11 113.4(8) . . ?
C1 C6 H6A 108.9 . . ?
C11 C6 H6A 108.9 . . ?
C1 C6 H6B 108.9 . . ?
C11 C6 H6B 108.9 . . ?
H6A C6 H6B 107.7 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C6 111.2(9) . . ?
C12 C11 H11A 109.4 . . ?
C6 C11 H11A 109.4 . . ?
C12 C11 H11B 109.4 . . ?
C6 C11 H11B 109.4 . . ?
H11A C11 H11B 108.0 . . ?
O7 C12 C11 108.1(13) . . ?
O7 C12 H12A 110.1 . . ?
C11 C12 H12A 110.1 . . ?
O7 C12 H12B 110.1 . . ?
C11 C12 H12B 110.1 . . ?
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 . . ?
C15 C14 C18 107.5(7) . . ?
C15 C14 C19 125.6(9) . . ?
C18 C14 C19 126.3(9) . . ?
C15 C14 Rh2 71.6(4) . . ?
C18 C14 Rh2 74.0(4) . . ?
C19 C14 Rh2 126.8(5) . . ?
C14 C15 C16 107.9(7) . . ?
C14 C15 C20 127.8(9) . . ?
C16 C15 C20 124.1(9) . . ?
C14 C15 Rh2 71.2(4) . . ?
C16 C15 Rh2 72.1(4) . . ?
C20 C15 Rh2 125.9(6) . . ?
C17 C16 C15 107.9(7) . . ?
C17 C16 C21 125.7(9) . . ?
C15 C16 C21 125.8(9) . . ?
C17 C16 Rh2 74.1(4) . . ?
C15 C16 Rh2 70.7(4) . . ?
C21 C16 Rh2 127.8(6) . . ?
C16 C17 C18 109.3(7) . . ?
C16 C17 C22 124.6(9) . . ?
C18 C17 C22 125.5(9) . . ?
C16 C17 Rh2 70.1(4) . . ?
C18 C17 Rh2 71.8(4) . . ?
C22 C17 Rh2 131.3(6) . . ?
C17 C18 C14 107.4(7) . . ?
C17 C18 C23 126.4(9) . . ?
C14 C18 C23 126.0(10) . . ?
C17 C18 Rh2 72.4(4) . . ?
C14 C18 Rh2 69.0(4) . . ?
C23 C18 Rh2 127.9(7) . . ?
C14 C19 C24 111.2(7) . . ?
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 113.3(9) . . ?
C25 C24 H24A 108.9 . . ?
C19 C24 H24A 108.9 . . ?
C25 C24 H24B 108.9 . . ?
C19 C24 H24B 108.9 . . ?
H24A C24 H24B 107.7 . . ?
O8 C25 C24 110.9(11) . . ?
O8 C25 H25A 109.5 . . ?
C24 C25 H25A 109.5 . . ?
O8 C25 H25B 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 108.0 . . ?
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 79.9(3) . . ?
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 . . ?
Rh1 C28 Rh2 79.8(3) . . ?
Rh1 C28 H28A 115.3 . . ?
Rh2 C28 H28A 115.3 . . ?
Rh1 C28 H28B 115.3 . . ?
Rh2 C28 H28B 115.3 . . ?
H28A C28 H28B 112.3 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 C28 2.041(7) . ?
Rh1 C27 2.046(8) . ?
Rh1 C4 2.223(8) . ?
Rh1 C3 2.240(8) . ?
Rh1 C2 2.255(7) . ?
Rh1 C5 2.270(8) . ?
Rh1 C1 2.275(7) . ?
Rh1 S1 2.281(2) . ?
Rh1 Rh2 2.6275(6) . ?
Rh2 C27 2.046(8) . ?
Rh2 C28 2.056(9) . ?
Rh2 C14 2.230(7) . ?
Rh2 C15 2.234(8) . ?
Rh2 C16 2.254(7) . ?
Rh2 S2 2.281(2) . ?
Rh2 C18 2.296(7) . ?
Rh2 C17 2.305(7) . ?
S1 O1 1.369(10) . ?
S1 O2 1.400(9) . ?
S1 O5 1.565(19) . ?
S1 O6 1.713(14) . ?
S2 O4 1.380(14) . ?
S2 O3 1.430(10) . ?
S2 O6 1.617(14) . ?
S2 O5 1.77(2) . ?
O1 O5 1.59(2) . ?
O4 O6 1.79(2) . ?
O5 O6 1.35(3) . ?
O7 C13 1.343(18) . ?
O7 C12 1.41(2) . ?
O8 C26 1.347(17) . ?
O8 C25 1.381(18) . ?
C1 C2 1.404(12) . ?
C1 C5 1.447(11) . ?
C1 C6 1.477(11) . ?
C2 C3 1.411(13) . ?
C2 C7 1.507(12) . ?
C3 C4 1.405(15) . ?
C3 C8 1.486(15) . ?
C4 C5 1.419(14) . ?
C4 C9 1.518(12) . ?
C5 C10 1.460(14) . ?
C6 C11 1.521(13) . ?
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 1.506(15) . ?
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 C15 1.423(12) . ?
C14 C18 1.439(12) . ?
C14 C19 1.495(12) . ?
C15 C16 1.431(12) . ?
C15 C20 1.487(12) . ?
C16 C17 1.402(12) . ?
C16 C21 1.509(13) . ?
C17 C18 1.414(13) . ?
C17 C22 1.490(12) . ?
C18 C23 1.476(14) . ?
C19 C24 1.545(15) . ?
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 1.474(15) . ?
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
O2 S1 O1 O5 112.8(12) . . . . ?
O6 S1 O1 O5 23.1(10) . . . . ?
Rh1 S1 O1 O5 -100.0(10) . . . . ?
O3 S2 O4 O6 112.1(8) . . . . ?
O5 S2 O4 O6 22.4(9) . . . . ?
Rh2 S2 O4 O6 -104.4(6) . . . . ?
O1 S1 O5 O6 149.9(12) . . . . ?
O2 S1 O5 O6 40.4(12) . . . . ?
Rh1 S1 O5 O6 -98.4(9) . . . . ?
O2 S1 O5 O1 -109.4(10) . . . . ?
O6 S1 O5 O1 -149.9(12) . . . . ?
Rh1 S1 O5 O1 111.7(6) . . . . ?
O1 S1 O5 S2 -165.8(17) . . . . ?
O2 S1 O5 S2 84.8(14) . . . . ?
O6 S1 O5 S2 44.3(11) . . . . ?
Rh1 S1 O5 S2 -54.1(16) . . . . ?
S1 O1 O5 O6 -32.2(11) . . . . ?
S1 O1 O5 S2 45(6) . . . . ?
O4 S2 O5 O6 -30.0(12) . . . . ?
O3 S2 O5 O6 -147.3(10) . . . . ?
Rh2 S2 O5 O6 101.1(9) . . . . ?
O4 S2 O5 S1 -79.4(15) . . . . ?
O3 S2 O5 S1 163.3(16) . . . . ?
O6 S2 O5 S1 -49.4(13) . . . . ?
Rh2 S2 O5 S1 51.7(16) . . . . ?
O4 S2 O5 O1 -117(6) . . . . ?
O3 S2 O5 O1 126(6) . . . . ?
O6 S2 O5 O1 -87(6) . . . . ?
Rh2 S2 O5 O1 14(6) . . . . ?
S1 O5 O6 S2 133.3(7) . . . . ?
O1 O5 O6 S2 159.4(14) . . . . ?
O1 O5 O6 S1 26.1(9) . . . . ?
S2 O5 O6 S1 -133.3(7) . . . . ?
S1 O5 O6 O4 156.2(9) . . . . ?
O1 O5 O6 O4 -177.8(10) . . . . ?
S2 O5 O6 O4 22.9(8) . . . . ?
O4 S2 O6 O5 151.4(12) . . . . ?
O3 S2 O6 O5 36.6(11) . . . . ?
Rh2 S2 O6 O5 -96.0(10) . . . . ?
O4 S2 O6 S1 -164.7(11) . . . . ?
O3 S2 O6 S1 80.5(10) . . . . ?
O5 S2 O6 S1 44.0(10) . . . . ?
Rh2 S2 O6 S1 -52.1(10) . . . . ?
O3 S2 O6 O4 -114.8(8) . . . . ?
O5 S2 O6 O4 -151.4(12) . . . . ?
Rh2 S2 O6 O4 112.6(6) . . . . ?
O1 S1 O6 O5 -28.5(11) . . . . ?
O2 S1 O6 O5 -145.6(11) . . . . ?
Rh1 S1 O6 O5 99.5(10) . . . . ?
O1 S1 O6 S2 -78.3(10) . . . . ?
O2 S1 O6 S2 164.6(10) . . . . ?
O5 S1 O6 S2 -49.8(12) . . . . ?
Rh1 S1 O6 S2 49.7(11) . . . . ?
O1 S1 O6 O4 -110(3) . . . . ?
O2 S1 O6 O4 133(3) . . . . ?
O5 S1 O6 O4 -81(3) . . . . ?
Rh1 S1 O6 O4 18(4) . . . . ?
S2 O4 O6 O5 -30.2(11) . . . . ?
S2 O4 O6 S1 40(3) . . . . ?
C5 C1 C2 C3 0.9(9) . . . . ?
C6 C1 C2 C3 174.5(8) . . . . ?
Rh1 C1 C2 C3 -61.8(6) . . . . ?
C5 C1 C2 C7 -175.4(9) . . . . ?
C6 C1 C2 C7 -1.9(13) . . . . ?
Rh1 C1 C2 C7 121.8(9) . . . . ?
C5 C1 C2 Rh1 62.7(5) . . . . ?
C6 C1 C2 Rh1 -123.7(8) . . . . ?
C1 C2 C3 C4 -0.1(9) . . . . ?
C7 C2 C3 C4 176.4(8) . . . . ?
Rh1 C2 C3 C4 -62.9(6) . . . . ?
C1 C2 C3 C8 -174.0(9) . . . . ?
C7 C2 C3 C8 2.5(15) . . . . ?
Rh1 C2 C3 C8 123.2(10) . . . . ?
C1 C2 C3 Rh1 62.8(5) . . . . ?
C7 C2 C3 Rh1 -120.7(9) . . . . ?
C2 C3 C4 C5 -0.8(10) . . . . ?
C8 C3 C4 C5 173.0(10) . . . . ?
Rh1 C3 C4 C5 -64.5(6) . . . . ?
C2 C3 C4 C9 -174.4(9) . . . . ?
C8 C3 C4 C9 -0.6(16) . . . . ?
Rh1 C3 C4 C9 121.9(9) . . . . ?
C2 C3 C4 Rh1 63.7(6) . . . . ?
C8 C3 C4 Rh1 -122.5(11) . . . . ?
C3 C4 C5 C1 1.4(9) . . . . ?
C9 C4 C5 C1 174.8(9) . . . . ?
Rh1 C4 C5 C1 -62.5(5) . . . . ?
C3 C4 C5 C10 -172.8(9) . . . . ?
C9 C4 C5 C10 0.6(15) . . . . ?
Rh1 C4 C5 C10 123.3(9) . . . . ?
C3 C4 C5 Rh1 63.8(6) . . . . ?
C9 C4 C5 Rh1 -122.7(10) . . . . ?
C2 C1 C5 C4 -1.4(8) . . . . ?
C6 C1 C5 C4 -174.9(8) . . . . ?
Rh1 C1 C5 C4 61.3(5) . . . . ?
C2 C1 C5 C10 172.8(9) . . . . ?
C6 C1 C5 C10 -0.7(13) . . . . ?
Rh1 C1 C5 C10 -124.5(9) . . . . ?
C2 C1 C5 Rh1 -62.7(5) . . . . ?
C6 C1 C5 Rh1 123.8(8) . . . . ?
C2 C1 C6 C11 -78.3(14) . . . . ?
C5 C1 C6 C11 94.0(12) . . . . ?
Rh1 C1 C6 C11 -171.8(8) . . . . ?
C1 C6 C11 C12 164.6(13) . . . . ?
C13 O7 C12 C11 173.6(18) . . . . ?
C6 C11 C12 O7 -65.7(17) . . . . ?
C18 C14 C15 C16 2.5(8) . . . . ?
C19 C14 C15 C16 174.2(7) . . . . ?
Rh2 C14 C15 C16 -63.3(5) . . . . ?
C18 C14 C15 C20 -172.8(8) . . . . ?
C19 C14 C15 C20 -1.1(13) . . . . ?
Rh2 C14 C15 C20 121.4(9) . . . . ?
C18 C14 C15 Rh2 65.8(5) . . . . ?
C19 C14 C15 Rh2 -122.5(7) . . . . ?
C14 C15 C16 C17 -2.6(8) . . . . ?
C20 C15 C16 C17 173.0(7) . . . . ?
Rh2 C15 C16 C17 -65.3(5) . . . . ?
C14 C15 C16 C21 -174.1(8) . . . . ?
C20 C15 C16 C21 1.4(13) . . . . ?
Rh2 C15 C16 C21 123.2(9) . . . . ?
C14 C15 C16 Rh2 62.7(5) . . . . ?
C20 C15 C16 Rh2 -121.7(8) . . . . ?
C15 C16 C17 C18 1.6(8) . . . . ?
C21 C16 C17 C18 173.2(8) . . . . ?
Rh2 C16 C17 C18 -61.4(5) . . . . ?
C15 C16 C17 C22 -169.9(8) . . . . ?
C21 C16 C17 C22 1.7(13) . . . . ?
Rh2 C16 C17 C22 127.1(8) . . . . ?
C15 C16 C17 Rh2 63.0(5) . . . . ?
C21 C16 C17 Rh2 -125.4(8) . . . . ?
C16 C17 C18 C14 0.0(8) . . . . ?
C22 C17 C18 C14 171.4(7) . . . . ?
Rh2 C17 C18 C14 -60.4(5) . . . . ?
C16 C17 C18 C23 -175.1(9) . . . . ?
C22 C17 C18 C23 -3.7(13) . . . . ?
Rh2 C17 C18 C23 124.5(9) . . . . ?
C16 C17 C18 Rh2 60.4(5) . . . . ?
C22 C17 C18 Rh2 -128.2(8) . . . . ?
C15 C14 C18 C17 -1.6(8) . . . . ?
C19 C14 C18 C17 -173.1(7) . . . . ?
Rh2 C14 C18 C17 62.6(5) . . . . ?
C15 C14 C18 C23 173.5(8) . . . . ?
C19 C14 C18 C23 1.9(13) . . . . ?
Rh2 C14 C18 C23 -122.3(9) . . . . ?
C15 C14 C18 Rh2 -64.2(5) . . . . ?
C19 C14 C18 Rh2 124.2(8) . . . . ?
C15 C14 C19 C24 -81.3(12) . . . . ?
C18 C14 C19 C24 88.8(13) . . . . ?
Rh2 C14 C19 C24 -174.1(9) . . . . ?
C14 C19 C24 C25 -179.5(13) . . . . ?
C26 O8 C25 C24 -176.6(14) . . . . ?
C19 C24 C25 O8 -70.0(19) . . . . ?