#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:15:32 +0100 (vie 25 de mar de 2016) $
#$Revision: 179806 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/02/7010274.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_7010274
loop_
_publ_author_name
'Bonar-Law, Richard P.'
'Bickley, Jamie F.'
'Femoni, Cristina'
'Steiner, Alexander'
_publ_section_title
;
 Dirhodium(II) carboxylates as building blocks. Macrocyclic dimers with
 vertically stacked Rh24+ units
;
_journal_issue                   23
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              4244
_journal_paper_doi               10.1039/b007625m
_journal_year                    2000
_chemical_formula_sum            'C124 H164 O26 Rh4'
_chemical_formula_weight         2482.52
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.01(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.360(4)
_cell_length_b                   24.341(4)
_cell_length_c                   19.477(5)
_cell_measurement_temperature    213(2)
_cell_volume                     6724(3)
_computing_data_collection       'IPDS (STOE, 1997)'
_computing_data_reduction        'X-RED (STOE, 1996)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'STOE IPDS'
_diffrn_measurement_method       'IMAGE PLATE'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1090
_diffrn_reflns_av_sigmaI/netI    0.0957
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            37908
_diffrn_reflns_theta_full        23.36
_diffrn_reflns_theta_max         23.36
_diffrn_reflns_theta_min         1.65
_exptl_absorpt_coefficient_mu    0.478
_exptl_absorpt_correction_T_max  0.9105
_exptl_absorpt_correction_T_min  0.8506
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.226
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2592
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.904
_refine_diff_density_min         -0.638
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.974
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     626
_refine_ls_number_reflns         9508
_refine_ls_number_restraints     287
_refine_ls_restrained_S_all      0.983
_refine_ls_R_factor_all          0.1179
_refine_ls_R_factor_gt           0.0674
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1274P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1782
_refine_ls_wR_factor_ref         0.2090
_reflns_number_gt                5527
_reflns_number_total             9508
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b007625m.txt
_cod_data_source_block           rbl6a
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7010274
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.90142(4) 0.02500(3) 0.01249(3) 0.0386(2) Uani 1 1 d . . .
Rh2 Rh 0.86499(5) 0.09571(3) 0.08737(3) 0.0435(2) Uani 1 1 d . . .
O1 O 1.0046(4) 0.1012(2) 0.1299(3) 0.0547(15) Uani 1 1 d . . .
O2 O 1.0390(4) 0.0404(2) 0.0513(3) 0.0464(14) Uani 1 1 d . . .
O3 O 0.7620(4) 0.0153(2) -0.0242(3) 0.0480(14) Uani 1 1 d . . .
O4 O 0.7265(4) 0.0887(2) 0.0371(3) 0.0498(14) Uani 1 1 d . . .
O5 O 0.9093(4) 0.0813(2) -0.0626(3) 0.0468(14) Uani 1 1 d . . .
O6 O 0.8901(4) 0.1505(2) 0.0127(3) 0.0490(14) Uani 1 1 d . . .
O7 O 0.8533(4) 0.0352(2) 0.1593(3) 0.0525(15) Uani 1 1 d . . .
O8 O 0.8990(4) -0.0298(2) 0.0898(3) 0.0467(14) Uani 1 1 d . . .
O10 O 0.9765(4) -0.1184(2) 0.1511(3) 0.0493(14) Uani 1 1 d . . .
O11 O 0.5666(4) 0.1380(2) -0.0212(3) 0.0561(16) Uani 1 1 d . . .
C1 C 1.0624(7) 0.0745(4) 0.1011(5) 0.052(2) Uani 1 1 d . . .
C2 C 1.1663(7) 0.0813(5) 0.1257(6) 0.080(3) Uani 1 1 d . . .
H2A H 1.2013 0.0580 0.0985 0.120 Uiso 1 1 calc R . .
H2B H 1.1808 0.0711 0.1744 0.120 Uiso 1 1 calc R . .
H2C H 1.1839 0.1194 0.1203 0.120 Uiso 1 1 calc R . .
C3 C 0.7055(6) 0.0511(3) -0.0078(4) 0.045(2) Uani 1 1 d . . .
C4 C 0.6081(5) 0.0466(3) -0.0472(4) 0.044(2) Uani 1 1 d . . .
C5 C 0.5853(6) -0.0020(3) -0.0842(4) 0.044(2) Uani 1 1 d . . .
H5 H 0.6303 -0.0303 -0.0807 0.053 Uiso 1 1 calc R . .
C6 C 0.4977(6) -0.0100(4) -0.1265(4) 0.049(2) Uani 1 1 d . . .
C7 C 0.4775(6) -0.0619(4) -0.1721(5) 0.054(2) Uani 1 1 d . . .
C8 C 0.5061(9) -0.0478(5) -0.2437(6) 0.097(4) Uani 1 1 d . . .
H8A H 0.5722 -0.0375 -0.2373 0.146 Uiso 1 1 calc R . .
H8B H 0.4681 -0.0174 -0.2645 0.146 Uiso 1 1 calc R . .
H8C H 0.4960 -0.0795 -0.2740 0.146 Uiso 1 1 calc R . .
C9 C 0.3768(8) -0.0781(5) -0.1817(7) 0.094(4) Uani 1 1 d . . .
H9A H 0.3676 -0.1108 -0.2104 0.141 Uiso 1 1 calc R . .
H9B H 0.3385 -0.0484 -0.2043 0.141 Uiso 1 1 calc R . .
H9C H 0.3585 -0.0855 -0.1368 0.141 Uiso 1 1 calc R . .
C10 C 0.5397(9) -0.1103(4) -0.1426(7) 0.099(4) Uani 1 1 d . . .
H10A H 0.6054 -0.0993 -0.1364 0.148 Uiso 1 1 calc R . .
H10B H 0.5298 -0.1410 -0.1745 0.148 Uiso 1 1 calc R . .
H10C H 0.5232 -0.1210 -0.0980 0.148 Uiso 1 1 calc R . .
C11 C 0.4338(6) 0.0326(4) -0.1296(5) 0.062(3) Uani 1 1 d . . .
H11 H 0.3740 0.0278 -0.1564 0.074 Uiso 1 1 calc R . .
C12 C 0.4536(6) 0.0826(4) -0.0950(5) 0.056(2) Uani 1 1 d . . .
C13 C 0.3781(8) 0.1283(4) -0.1036(6) 0.078(3) Uani 1 1 d . A .
C14 C 0.3408(8) 0.1368(5) -0.1805(6) 0.093(4) Uani 1 1 d . . .
H14A H 0.3142 0.1026 -0.2004 0.139 Uiso 1 1 calc R . .
H14B H 0.3920 0.1482 -0.2043 0.139 Uiso 1 1 calc R . .
H14C H 0.2924 0.1649 -0.1856 0.139 Uiso 1 1 calc R . .
C15 C 0.2969(8) 0.1115(5) -0.0633(7) 0.092(4) Uani 1 1 d . . .
H15A H 0.2684 0.0776 -0.0825 0.138 Uiso 1 1 calc R . .
H15B H 0.2495 0.1403 -0.0678 0.138 Uiso 1 1 calc R . .
H15C H 0.3221 0.1062 -0.0146 0.138 Uiso 1 1 calc R . .
C16 C 0.4201(7) 0.1809(4) -0.0716(6) 0.087(4) Uani 1 1 d DU . .
C17 C 0.3572(12) 0.2249(5) -0.0637(7) 0.081(6) Uiso 0.533(9) 1 d PDU A 1
H17 H 0.2938 0.2210 -0.0842 0.098 Uiso 0.533(9) 1 calc PR A 1
C18 C 0.3838(10) 0.2730(6) -0.0277(8) 0.070(5) Uiso 0.533(9) 1 d PDU A 1
C19 C 0.3106(12) 0.3225(7) -0.0253(8) 0.084(6) Uiso 0.533(9) 1 d PDU A 1
C20 C 0.2633(15) 0.3356(10) -0.0977(9) 0.095(7) Uiso 0.533(9) 1 d PDU A 1
H20A H 0.2325 0.3029 -0.1189 0.143 Uiso 0.533(9) 1 calc PR A 1
H20B H 0.3100 0.3482 -0.1251 0.143 Uiso 0.533(9) 1 calc PR A 1
H20C H 0.2167 0.3642 -0.0960 0.143 Uiso 0.533(9) 1 calc PR A 1
C21 C 0.3589(15) 0.3723(8) 0.0084(11) 0.089(7) Uiso 0.533(9) 1 d PDU A 1
H21A H 0.3882 0.3633 0.0553 0.134 Uiso 0.533(9) 1 calc PR A 1
H21B H 0.3129 0.4013 0.0100 0.134 Uiso 0.533(9) 1 calc PR A 1
H21C H 0.4067 0.3846 -0.0182 0.134 Uiso 0.533(9) 1 calc PR A 1
C22 C 0.2378(17) 0.3044(12) 0.0188(12) 0.137(11) Uiso 0.533(9) 1 d PDU A 1
H22A H 0.2048 0.2722 -0.0019 0.205 Uiso 0.533(9) 1 calc PR A 1
H22B H 0.1929 0.3338 0.0212 0.205 Uiso 0.533(9) 1 calc PR A 1
H22C H 0.2691 0.2955 0.0653 0.205 Uiso 0.533(9) 1 calc PR A 1
C23 C 0.4792(10) 0.2781(6) -0.0021(9) 0.063(5) Uiso 0.533(9) 1 d PDU A 1
H23 H 0.5032 0.3123 0.0146 0.076 Uiso 0.533(9) 1 calc PR A 1
C24 C 0.5406(11) 0.2330(5) -0.0008(11) 0.058(8) Uiso 0.533(9) 1 d PDU A 1
C25 C 0.6382(14) 0.2436(9) 0.0306(15) 0.085(11) Uiso 0.533(9) 1 d PDU A 1
O12 O 0.6636(15) 0.2872(7) 0.0581(11) 0.085(9) Uiso 0.533(9) 1 d PDU A 1
O13 O 0.7050(9) 0.2031(5) 0.0327(7) 0.064(4) Uiso 0.533(9) 1 d PDU A 1
H13 H 0.7527 0.2120 0.0603 0.097 Uiso 0.533(9) 1 calc PR A 1
C26 C 0.5099(6) 0.1839(3) -0.0337(4) 0.056(2) Uani 1 1 d DU A .
C17' C 0.3858(11) 0.2332(5) -0.0956(7) 0.063(5) Uiso 0.467(9) 1 d PDU A 2
H17' H 0.3291 0.2340 -0.1271 0.076 Uiso 0.467(9) 1 calc PR A 2
C18' C 0.4286(10) 0.2831(6) -0.0769(8) 0.058(5) Uiso 0.467(9) 1 d PDU A 2
C19' C 0.3796(11) 0.3412(7) -0.0976(8) 0.063(6) Uiso 0.467(9) 1 d PDU A 2
C20' C 0.3672(16) 0.3699(10) -0.0314(11) 0.084(7) Uiso 0.467(9) 1 d PDU A 2
H20D H 0.4281 0.3745 -0.0025 0.126 Uiso 0.467(9) 1 calc PR A 2
H20E H 0.3266 0.3480 -0.0067 0.126 Uiso 0.467(9) 1 calc PR A 2
H20F H 0.3387 0.4056 -0.0422 0.126 Uiso 0.467(9) 1 calc PR A 2
C21' C 0.2869(13) 0.3340(10) -0.1447(11) 0.087(7) Uiso 0.467(9) 1 d PDU A 2
H21D H 0.2972 0.3158 -0.1871 0.130 Uiso 0.467(9) 1 calc PR A 2
H21E H 0.2585 0.3697 -0.1559 0.130 Uiso 0.467(9) 1 calc PR A 2
H21F H 0.2451 0.3119 -0.1214 0.130 Uiso 0.467(9) 1 calc PR A 2
C22' C 0.4436(15) 0.3748(10) -0.1347(11) 0.092(8) Uiso 0.467(9) 1 d PDU A 2
H22D H 0.5037 0.3798 -0.1047 0.139 Uiso 0.467(9) 1 calc PR A 2
H22E H 0.4151 0.4104 -0.1465 0.139 Uiso 0.467(9) 1 calc PR A 2
H22F H 0.4537 0.3560 -0.1768 0.139 Uiso 0.467(9) 1 calc PR A 2
C23' C 0.5129(11) 0.2820(6) -0.0299(9) 0.053(5) Uiso 0.467(9) 1 d PDU A 2
H23' H 0.5404 0.3151 -0.0122 0.064 Uiso 0.467(9) 1 calc PR A 2
C24' C 0.5567(12) 0.2321(5) -0.0089(11) 0.042(7) Uiso 0.467(9) 1 d PDU A 2
C25' C 0.6437(10) 0.2376(6) 0.0414(11) 0.030(6) Uiso 0.467(9) 1 d PDU A 2
O12' O 0.6724(12) 0.2799(6) 0.0705(10) 0.047(6) Uiso 0.467(9) 1 d PDU A 2
O13' O 0.6918(11) 0.1914(6) 0.0656(9) 0.068(4) Uiso 0.467(9) 1 d PDU A 2
H13' H 0.6560 0.1705 0.0828 0.102 Uiso 0.467(9) 1 calc PR A 2
C27 C 0.5397(6) 0.0888(4) -0.0551(4) 0.047(2) Uani 1 1 d . . .
C28 C 0.9047(6) 0.1310(4) -0.0457(5) 0.050(2) Uani 1 1 d . . .
C29 C 0.8802(5) -0.0133(4) 0.1469(4) 0.047(2) Uani 1 1 d . . .
C30 C 0.8876(6) -0.0536(3) 0.2051(4) 0.047(2) Uani 1 1 d . . .
C31 C 0.8439(6) -0.0389(4) 0.2624(4) 0.052(2) Uani 1 1 d . . .
H31 H 0.8154 -0.0041 0.2625 0.063 Uiso 1 1 calc R . .
C32 C 0.8412(7) -0.0734(4) 0.3184(5) 0.055(2) Uani 1 1 d . . .
C33 C 0.7932(8) -0.0577(4) 0.3810(5) 0.070(3) Uani 1 1 d . . .
C34 C 0.7531(10) 0.0006(5) 0.3741(6) 0.101(4) Uani 1 1 d . . .
H34A H 0.7095 0.0037 0.3309 0.151 Uiso 1 1 calc R . .
H34B H 0.8042 0.0266 0.3740 0.151 Uiso 1 1 calc R . .
H34C H 0.7203 0.0083 0.4129 0.151 Uiso 1 1 calc R . .
C35 C 0.7051(10) -0.0974(6) 0.3814(7) 0.106(4) Uani 1 1 d . . .
H35A H 0.6610 -0.0926 0.3387 0.159 Uiso 1 1 calc R . .
H35B H 0.6741 -0.0887 0.4209 0.159 Uiso 1 1 calc R . .
H35C H 0.7265 -0.1353 0.3849 0.159 Uiso 1 1 calc R . .
C36 C 0.8602(10) -0.0652(6) 0.4466(6) 0.107(5) Uani 1 1 d . . .
H36A H 0.8836 -0.1026 0.4492 0.160 Uiso 1 1 calc R . .
H36B H 0.8281 -0.0580 0.4860 0.160 Uiso 1 1 calc R . .
H36C H 0.9126 -0.0399 0.4476 0.160 Uiso 1 1 calc R . .
C37 C 0.8817(7) -0.1256(4) 0.3150(5) 0.059(2) Uani 1 1 d . . .
H37 H 0.8777 -0.1505 0.3512 0.071 Uiso 1 1 calc R . .
C38 C 0.9272(6) -0.1422(3) 0.2607(4) 0.051(2) Uani 1 1 d . . .
C39 C 0.9690(7) -0.1995(4) 0.2622(5) 0.057(2) Uani 1 1 d . B .
C40 C 0.8868(7) -0.2414(4) 0.2514(6) 0.071(3) Uani 1 1 d . . .
H40A H 0.9121 -0.2783 0.2519 0.106 Uiso 1 1 calc R . .
H40B H 0.8474 -0.2345 0.2071 0.106 Uiso 1 1 calc R . .
H40C H 0.8495 -0.2375 0.2886 0.106 Uiso 1 1 calc R . .
C41 C 1.0320(8) -0.2090(5) 0.3309(6) 0.086(3) Uani 1 1 d . . .
H41A H 1.0585 -0.2457 0.3317 0.129 Uiso 1 1 calc R . .
H41B H 0.9954 -0.2052 0.3685 0.129 Uiso 1 1 calc R . .
H41C H 1.0826 -0.1821 0.3367 0.129 Uiso 1 1 calc R . .
C42 C 1.0267(7) -0.2064(4) 0.2022(5) 0.061(3) Uani 1 1 d . . .
C43 C 1.0939(13) -0.2507(7) 0.2113(10) 0.047(5) Uiso 0.500(11) 1 d PDU B 1
H43 H 1.0997 -0.2738 0.2505 0.056 Uiso 0.500(11) 1 calc PR B 1
C44 C 1.1505(13) -0.2581(7) 0.1594(10) 0.057(5) Uiso 0.500(11) 1 d PDU B 1
C45 C 1.2126(13) -0.3102(7) 0.1555(9) 0.066(6) Uiso 0.500(11) 1 d PDU B 1
C46 C 1.3152(18) -0.3022(18) 0.191(2) 0.31(3) Uiso 0.500(11) 1 d PDU B 1
H46A H 1.3409 -0.2692 0.1736 0.472 Uiso 0.500(11) 1 calc PR B 1
H46B H 1.3526 -0.3337 0.1820 0.472 Uiso 0.500(11) 1 calc PR B 1
H46C H 1.3165 -0.2987 0.2411 0.472 Uiso 0.500(11) 1 calc PR B 1
C47 C 1.1704(17) -0.3619(8) 0.1862(12) 0.091(8) Uiso 0.500(11) 1 d PDU B 1
H47A H 1.1111 -0.3715 0.1576 0.137 Uiso 0.500(11) 1 calc PR B 1
H47B H 1.1596 -0.3541 0.2332 0.137 Uiso 0.500(11) 1 calc PR B 1
H47C H 1.2141 -0.3924 0.1870 0.137 Uiso 0.500(11) 1 calc PR B 1
C48 C 1.210(2) -0.3283(11) 0.0765(10) 0.110(9) Uiso 0.500(11) 1 d PDU B 1
H48A H 1.1448 -0.3333 0.0548 0.166 Uiso 0.500(11) 1 calc PR B 1
H48B H 1.2438 -0.3626 0.0749 0.166 Uiso 0.500(11) 1 calc PR B 1
H48C H 1.2390 -0.3001 0.0519 0.166 Uiso 0.500(11) 1 calc PR B 1
C49 C 1.1437(12) -0.2197(6) 0.1074(9) 0.041(5) Uiso 0.500(11) 1 d PDU B 1
H49 H 1.1831 -0.2247 0.0737 0.049 Uiso 0.500(11) 1 calc PR B 1
C43' C 1.0640(12) -0.2571(7) 0.1858(9) 0.041(4) Uiso 0.500(11) 1 d PDU B 2
H43' H 1.0511 -0.2877 0.2122 0.049 Uiso 0.500(11) 1 calc PR B 2
C44' C 1.1192(11) -0.2661(6) 0.1333(9) 0.045(4) Uiso 0.500(11) 1 d PDU B 2
C45' C 1.1757(11) -0.3210(7) 0.1313(8) 0.065(6) Uiso 0.500(11) 1 d PDU B 2
C46' C 1.111(2) -0.3648(11) 0.0938(16) 0.169(15) Uiso 0.500(11) 1 d PDU B 2
H46D H 1.0887 -0.3527 0.0467 0.254 Uiso 0.500(11) 1 calc PR B 2
H46E H 1.0584 -0.3707 0.1181 0.254 Uiso 0.500(11) 1 calc PR B 2
H46F H 1.1463 -0.3988 0.0926 0.254 Uiso 0.500(11) 1 calc PR B 2
C47' C 1.2173(17) -0.3409(11) 0.2078(10) 0.099(8) Uiso 0.500(11) 1 d PDU B 2
H47D H 1.2548 -0.3117 0.2321 0.148 Uiso 0.500(11) 1 calc PR B 2
H47E H 1.2566 -0.3730 0.2052 0.148 Uiso 0.500(11) 1 calc PR B 2
H47F H 1.1659 -0.3501 0.2326 0.148 Uiso 0.500(11) 1 calc PR B 2
C48' C 1.2708(14) -0.3107(10) 0.1023(12) 0.095(8) Uiso 0.500(11) 1 d PDU B 2
H48D H 1.3094 -0.2849 0.1323 0.143 Uiso 0.500(11) 1 calc PR B 2
H48E H 1.2569 -0.2957 0.0557 0.143 Uiso 0.500(11) 1 calc PR B 2
H48F H 1.3045 -0.3451 0.1012 0.143 Uiso 0.500(11) 1 calc PR B 2
C49' C 1.1217(13) -0.2250(7) 0.0857(10) 0.043(6) Uiso 0.500(11) 1 d PDU B 2
H49' H 1.1480 -0.2309 0.0451 0.052 Uiso 0.500(11) 1 calc PR B 2
C50 C 1.0838(6) -0.1736(3) 0.0992(5) 0.051(2) Uani 1 1 d . . .
C51 C 1.0280(6) -0.1663(3) 0.1529(5) 0.052(2) Uani 1 1 d . B .
C52 C 0.9313(6) -0.1054(3) 0.2064(4) 0.045(2) Uani 1 1 d . . .
O15 O 0.8383(5) 0.1639(3) 0.1625(4) 0.0759(19) Uiso 1 1 d DU . .
C66 C 0.9501(11) 0.2392(7) 0.2025(8) 0.131(5) Uiso 1 1 d DU . .
H66A H 0.9429 0.2788 0.2089 0.157 Uiso 1 1 calc R . .
H66B H 1.0150 0.2312 0.1960 0.157 Uiso 1 1 calc R . .
C67 C 0.8804(16) 0.2180(9) 0.1431(11) 0.213(9) Uiso 1 1 d DU . .
H67A H 0.8300 0.2450 0.1308 0.256 Uiso 1 1 calc R . .
H67B H 0.9118 0.2125 0.1024 0.256 Uiso 1 1 calc R . .
C68 C 0.8720(16) 0.1537(9) 0.2330(10) 0.200(9) Uiso 1 1 d DU . .
H68A H 0.9165 0.1229 0.2374 0.240 Uiso 1 1 calc R . .
H68B H 0.8195 0.1441 0.2573 0.240 Uiso 1 1 calc R . .
C69 C 0.9214(19) 0.2057(11) 0.2649(11) 0.232(11) Uiso 1 1 d DU . .
H69A H 0.9773 0.1961 0.2983 0.279 Uiso 1 1 calc R . .
H69B H 0.8786 0.2272 0.2889 0.279 Uiso 1 1 calc R . .
C90 C 1.111(2) -0.0034(13) 0.3350(16) 0.270(14) Uiso 1 1 d DU . .
H90A H 1.0678 0.0263 0.3196 0.405 Uiso 1 1 calc R . .
H90B H 1.1626 0.0105 0.3687 0.405 Uiso 1 1 calc R . .
H90C H 1.0779 -0.0319 0.3563 0.405 Uiso 1 1 calc R . .
C91 C 1.148(2) -0.0262(14) 0.2754(17) 0.283(15) Uiso 1 1 d DU . .
H91A H 1.0938 -0.0358 0.2406 0.339 Uiso 1 1 calc R . .
H91B H 1.1809 0.0039 0.2555 0.339 Uiso 1 1 calc R . .
C92 C 1.204(2) -0.0679(16) 0.2803(16) 0.276(14) Uiso 1 1 d DU . .
H92A H 1.2485 -0.0634 0.3237 0.331 Uiso 1 1 calc R . .
H92B H 1.1661 -0.1004 0.2863 0.331 Uiso 1 1 calc R . .
C93 C 1.251(3) -0.0792(17) 0.2358(18) 0.301(15) Uiso 1 1 d DU . .
H93A H 1.2932 -0.0479 0.2326 0.361 Uiso 1 1 calc R . .
H93B H 1.2076 -0.0805 0.1917 0.361 Uiso 1 1 calc R . .
C94 C 1.302(3) -0.1220(16) 0.2380(18) 0.320(17) Uiso 1 1 d DU . .
H94A H 1.2609 -0.1527 0.2471 0.384 Uiso 1 1 calc R . .
H94B H 1.3496 -0.1184 0.2794 0.384 Uiso 1 1 calc R . .
C95 C 1.349(2) -0.1391(14) 0.1838(17) 0.300(16) Uiso 1 1 d DU . .
H95A H 1.4127 -0.1504 0.2030 0.450 Uiso 1 1 calc R . .
H95B H 1.3517 -0.1089 0.1517 0.450 Uiso 1 1 calc R . .
H95C H 1.3157 -0.1698 0.1595 0.450 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0020 0.0020 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0080 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.2870 0.9190 'International Tables 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
O8 Rh1 O5 177.4(2) . . ?
O8 Rh1 O3 93.1(2) . . ?
O5 Rh1 O3 89.3(2) . . ?
O8 Rh1 O2 88.5(2) . . ?
O5 Rh1 O2 89.0(2) . . ?
O3 Rh1 O2 175.8(2) . . ?
O8 Rh1 Rh2 89.40(15) . . ?
O5 Rh1 Rh2 89.75(15) . . ?
O3 Rh1 Rh2 90.04(15) . . ?
O2 Rh1 Rh2 86.14(15) . . ?
O6 Rh2 O1 88.5(2) . . ?
O6 Rh2 O7 173.0(2) . . ?
O1 Rh2 O7 87.2(2) . . ?
O6 Rh2 O4 88.9(2) . . ?
O1 Rh2 O4 175.7(2) . . ?
O7 Rh2 O4 95.0(2) . . ?
O6 Rh2 Rh1 87.42(15) . . ?
O1 Rh2 Rh1 89.98(16) . . ?
O7 Rh2 Rh1 87.06(16) . . ?
O4 Rh2 Rh1 86.40(15) . . ?
C1 O1 Rh2 117.4(5) . . ?
C1 O2 Rh1 121.7(6) . . ?
C3 O3 Rh1 117.8(5) . . ?
C3 O4 Rh2 119.3(5) . . ?
C28 O5 Rh1 116.8(5) . . ?
C28 O6 Rh2 117.5(5) . . ?
C29 O7 Rh2 118.2(5) . . ?
C29 O8 Rh1 118.9(5) . . ?
C51 O10 C52 119.4(6) . . ?
C26 O11 C27 120.1(6) . . ?
O1 C1 O2 124.1(8) . . ?
O1 C1 C2 119.6(8) . . ?
O2 C1 C2 116.3(8) . . ?
O3 C3 O4 125.3(8) . . ?
O3 C3 C4 114.0(7) . . ?
O4 C3 C4 120.7(7) . . ?
C5 C4 C27 117.3(7) . . ?
C5 C4 C3 116.9(7) . . ?
C27 C4 C3 125.6(8) . . ?
C4 C5 C6 122.4(8) . . ?
C11 C6 C5 116.7(8) . . ?
C11 C6 C7 121.7(8) . . ?
C5 C6 C7 121.4(7) . . ?
C9 C7 C10 110.1(9) . . ?
C9 C7 C6 112.4(8) . . ?
C10 C7 C6 111.4(7) . . ?
C9 C7 C8 109.6(9) . . ?
C10 C7 C8 106.7(9) . . ?
C6 C7 C8 106.4(8) . . ?
C6 C11 C12 123.3(8) . . ?
C27 C12 C11 118.0(8) . . ?
C27 C12 C13 122.7(8) . . ?
C11 C12 C13 119.3(8) . . ?
C16 C13 C14 110.4(9) . . ?
C16 C13 C12 109.8(8) . . ?
C14 C13 C12 109.7(9) . . ?
C16 C13 C15 107.3(10) . . ?
C14 C13 C15 110.8(10) . . ?
C12 C13 C15 108.9(9) . . ?
C26 C16 C17' 112.0(10) . . ?
C26 C16 C17 117.2(10) . . ?
C17' C16 C17 33.7(5) . . ?
C26 C16 C13 123.0(8) . . ?
C17' C16 C13 122.0(9) . . ?
C17 C16 C13 117.5(10) . . ?
C18 C17 C16 124.0(14) . . ?
C17 C18 C23 115.8(14) . . ?
C17 C18 C19 121.3(12) . . ?
C23 C18 C19 122.4(12) . . ?
C20 C19 C21 110.5(14) . . ?
C20 C19 C22 110.1(15) . . ?
C21 C19 C22 107.4(15) . . ?
C20 C19 C18 109.6(14) . . ?
C21 C19 C18 111.2(14) . . ?
C22 C19 C18 108.1(15) . . ?
C18 C23 C24 121.1(14) . . ?
C26 C24 C23 120.5(12) . . ?
C26 C24 C25 123.9(13) . . ?
C23 C24 C25 115.3(12) . . ?
O12 C25 O13 116.9(17) . . ?
O12 C25 C24 122.6(18) . . ?
O13 C25 C24 120.4(15) . . ?
O11 C26 C16 121.7(7) . . ?
O11 C26 C24 118.5(8) . . ?
C16 C26 C24 119.5(9) . . ?
O11 C26 C24' 112.3(8) . . ?
C16 C26 C24' 125.8(9) . . ?
C24 C26 C24' 12.3(15) . . ?
C18' C17' C16 125.7(14) . . ?
C17' C18' C23' 117.3(14) . . ?
C17' C18' C19' 123.3(11) . . ?
C23' C18' C19' 118.8(11) . . ?
C22' C19' C20' 108.9(14) . . ?
C22' C19' C21' 108.8(14) . . ?
C20' C19' C21' 111.4(15) . . ?
C22' C19' C18' 109.0(14) . . ?
C20' C19' C18' 107.4(14) . . ?
C21' C19' C18' 111.3(14) . . ?
C24' C23' C18' 120.7(13) . . ?
C23' C24' C26 117.2(11) . . ?
C23' C24' C25' 114.3(11) . . ?
C26 C24' C25' 128.3(12) . . ?
O12' C25' O13' 114.9(15) . . ?
O12' C25' C24' 125.4(15) . . ?
O13' C25' C24' 119.1(12) . . ?
C12 C27 O11 121.7(7) . . ?
C12 C27 C4 122.3(8) . . ?
O11 C27 C4 116.0(7) . . ?
O5 C28 O6 127.7(8) . . ?
O5 C28 C50 117.9(8) . 3_755 ?
O6 C28 C50 114.4(8) . 3_755 ?
O8 C29 O7 125.5(8) . . ?
O8 C29 C30 117.7(8) . . ?
O7 C29 C30 116.8(7) . . ?
C52 C30 C31 117.8(7) . . ?
C52 C30 C29 125.6(7) . . ?
C31 C30 C29 116.6(7) . . ?
C32 C31 C30 122.8(8) . . ?
C31 C32 C37 116.7(8) . . ?
C31 C32 C33 123.1(8) . . ?
C37 C32 C33 120.2(8) . . ?
C36 C33 C34 112.1(10) . . ?
C36 C33 C32 109.9(9) . . ?
C34 C33 C32 111.6(8) . . ?
C36 C33 C35 109.2(10) . . ?
C34 C33 C35 106.0(10) . . ?
C32 C33 C35 107.9(9) . . ?
C38 C37 C32 123.2(8) . . ?
C37 C38 C52 118.1(8) . . ?
C37 C38 C39 119.0(8) . . ?
C52 C38 C39 122.8(8) . . ?
C41 C39 C38 109.7(8) . . ?
C41 C39 C42 109.6(8) . . ?
C38 C39 C42 110.0(7) . . ?
C41 C39 C40 110.9(8) . . ?
C38 C39 C40 108.2(7) . . ?
C42 C39 C40 108.3(8) . . ?
C51 C42 C43' 114.8(10) . . ?
C51 C42 C43 122.5(10) . . ?
C43' C42 C43 25.3(8) . . ?
C51 C42 C39 121.4(8) . . ?
C43' C42 C39 122.5(9) . . ?
C43 C42 C39 114.6(9) . . ?
C44 C43 C42 117.3(14) . . ?
C49 C44 C43 117.6(14) . . ?
C49 C44 C45 119.5(13) . . ?
C43 C44 C45 122.6(13) . . ?
C46 C45 C44 112.8(18) . . ?
C46 C45 C47 109.3(17) . . ?
C44 C45 C47 112.2(13) . . ?
C46 C45 C48 110.6(17) . . ?
C44 C45 C48 110.2(13) . . ?
C47 C45 C48 101.2(14) . . ?
C44 C49 C50 126.8(14) . . ?
C44' C43' C42 125.6(13) . . ?
C49' C44' C43' 117.2(13) . . ?
C49' C44' C45' 122.6(12) . . ?
C43' C44' C45' 120.3(12) . . ?
C46' C45' C44' 109.4(15) . . ?
C46' C45' C47' 110.4(15) . . ?
C44' C45' C47' 110.9(13) . . ?
C46' C45' C48' 115.7(16) . . ?
C44' C45' C48' 110.7(13) . . ?
C47' C45' C48' 99.5(13) . . ?
C44' C49' C50 118.2(14) . . ?
C49' C50 C49 20.6(9) . . ?
C49' C50 C51 121.8(9) . . ?
C49 C50 C51 114.8(9) . . ?
C49' C50 C28 113.4(9) . 3_755 ?
C49 C50 C28 119.9(9) . 3_755 ?
C51 C50 C28 124.1(8) . 3_755 ?
C42 C51 O10 123.6(8) . . ?
C42 C51 C50 119.9(8) . . ?
O10 C51 C50 116.6(7) . . ?
O10 C52 C38 121.8(7) . . ?
O10 C52 C30 117.0(7) . . ?
C38 C52 C30 121.2(8) . . ?
C68 O15 C67 107.9(15) . . ?
C67 C66 C69 101.2(12) . . ?
O15 C67 C66 110.4(14) . . ?
O15 C68 C69 108.4(15) . . ?
C68 C69 C66 106.0(14) . . ?
C92 C91 C90 123(3) . . ?
C93 C92 C91 122(4) . . ?
C92 C93 C94 123(5) . . ?
C93 C94 C95 124(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 O8 2.015(5) . ?
Rh1 O5 2.021(5) . ?
Rh1 O3 2.032(5) . ?
Rh1 O2 2.036(5) . ?
Rh1 Rh2 2.3667(10) . ?
Rh2 O6 2.047(6) . ?
Rh2 O1 2.049(6) . ?
Rh2 O7 2.059(6) . ?
Rh2 O4 2.082(6) . ?
O1 C1 1.254(10) . ?
O2 C1 1.281(10) . ?
O3 C3 1.266(9) . ?
O4 C3 1.268(9) . ?
O5 C28 1.258(10) . ?
O6 C28 1.279(10) . ?
O7 C29 1.276(10) . ?
O8 C29 1.251(9) . ?
O10 C51 1.379(10) . ?
O10 C52 1.380(9) . ?
O11 C26 1.381(10) . ?
O11 C27 1.392(10) . ?
C1 C2 1.503(13) . ?
C3 C4 1.491(11) . ?
C4 C5 1.396(11) . ?
C4 C27 1.413(11) . ?
C5 C6 1.405(11) . ?
C6 C11 1.379(12) . ?
C6 C7 1.546(12) . ?
C7 C9 1.481(13) . ?
C7 C10 1.534(14) . ?
C7 C8 1.553(13) . ?
C11 C12 1.399(12) . ?
C12 C27 1.363(12) . ?
C12 C13 1.545(13) . ?
C13 C16 1.508(14) . ?
C13 C14 1.522(15) . ?
C13 C15 1.559(16) . ?
C16 C26 1.383(10) . ?
C16 C17' 1.417(12) . ?
C16 C17 1.424(12) . ?
C17 C18 1.387(13) . ?
C18 C23 1.389(13) . ?
C18 C19 1.60(2) . ?
C19 C20 1.500(16) . ?
C19 C21 1.497(16) . ?
C19 C22 1.519(16) . ?
C23 C24 1.406(12) . ?
C24 C26 1.394(12) . ?
C24 C25 1.462(17) . ?
C25 O12 1.218(15) . ?
C25 O13 1.371(18) . ?
C26 C24' 1.399(12) . ?
C17' C18' 1.383(13) . ?
C18' C23' 1.399(13) . ?
C18' C19' 1.60(2) . ?
C19' C22' 1.498(16) . ?
C19' C20' 1.502(16) . ?
C19' C21' 1.503(16) . ?
C23' C24' 1.399(13) . ?
C24' C25' 1.469(16) . ?
C25' O12' 1.215(13) . ?
C25' O13' 1.364(17) . ?
C28 C50 1.498(12) 3_755 ?
C29 C30 1.492(12) . ?
C30 C52 1.407(11) . ?
C30 C31 1.409(11) . ?
C31 C32 1.382(12) . ?
C32 C37 1.404(12) . ?
C32 C33 1.540(12) . ?
C33 C36 1.485(15) . ?
C33 C34 1.527(14) . ?
C33 C35 1.594(16) . ?
C37 C38 1.387(12) . ?
C38 C52 1.393(11) . ?
C38 C39 1.518(11) . ?
C39 C41 1.512(13) . ?
C39 C42 1.543(12) . ?
C39 C40 1.548(13) . ?
C42 C51 1.370(12) . ?
C42 C43' 1.403(17) . ?
C42 C43 1.441(19) . ?
C43 C44 1.404(17) . ?
C44 C49 1.370(17) . ?
C44 C45 1.559(18) . ?
C45 C46 1.540(17) . ?
C45 C47 1.557(16) . ?
C45 C48 1.593(16) . ?
C49 C50 1.408(18) . ?
C43' C44' 1.405(16) . ?
C44' C49' 1.369(16) . ?
C44' C45' 1.568(18) . ?
C45' C46' 1.519(17) . ?
C45' C47' 1.590(16) . ?
C45' C48' 1.578(16) . ?
C49' C50 1.406(19) . ?
C50 C51 1.423(12) . ?
C50 C28 1.498(12) 3_755 ?
O15 C68 1.404(17) . ?
O15 C67 1.521(18) . ?
C66 C67 1.50(2) . ?
C66 C69 1.57(3) . ?
C68 C69 1.53(2) . ?
C90 C91 1.46(3) . ?
C91 C92 1.29(3) . ?
C92 C93 1.21(4) . ?
C93 C94 1.27(4) . ?
C94 C95 1.41(3) . ?
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
O8 Rh1 Rh2 O6 171.1(2) . . . . ?
O5 Rh1 Rh2 O6 -6.4(2) . . . . ?
O3 Rh1 Rh2 O6 -95.7(2) . . . . ?
O2 Rh1 Rh2 O6 82.6(2) . . . . ?
O8 Rh1 Rh2 O1 82.6(2) . . . . ?
O5 Rh1 Rh2 O1 -95.0(2) . . . . ?
O3 Rh1 Rh2 O1 175.7(2) . . . . ?
O2 Rh1 Rh2 O1 -5.9(2) . . . . ?
O8 Rh1 Rh2 O7 -4.6(2) . . . . ?
O5 Rh1 Rh2 O7 177.9(2) . . . . ?
O3 Rh1 Rh2 O7 88.6(2) . . . . ?
O2 Rh1 Rh2 O7 -93.1(2) . . . . ?
O8 Rh1 Rh2 O4 -99.8(2) . . . . ?
O5 Rh1 Rh2 O4 82.7(2) . . . . ?
O3 Rh1 Rh2 O4 -6.7(2) . . . . ?
O2 Rh1 Rh2 O4 171.7(2) . . . . ?
O6 Rh2 O1 C1 -78.9(6) . . . . ?
O7 Rh2 O1 C1 95.6(6) . . . . ?
O4 Rh2 O1 C1 -25(3) . . . . ?
Rh1 Rh2 O1 C1 8.5(6) . . . . ?
O8 Rh1 O2 C1 -83.9(6) . . . . ?
O5 Rh1 O2 C1 95.4(6) . . . . ?
O3 Rh1 O2 C1 29(3) . . . . ?
Rh2 Rh1 O2 C1 5.6(6) . . . . ?
O8 Rh1 O3 C3 100.2(6) . . . . ?
O5 Rh1 O3 C3 -79.0(6) . . . . ?
O2 Rh1 O3 C3 -12(3) . . . . ?
Rh2 Rh1 O3 C3 10.8(6) . . . . ?
O6 Rh2 O4 C3 92.5(6) . . . . ?
O1 Rh2 O4 C3 38(3) . . . . ?
O7 Rh2 O4 C3 -81.7(6) . . . . ?
Rh1 Rh2 O4 C3 5.0(6) . . . . ?
O8 Rh1 O5 C28 -63(5) . . . . ?
O3 Rh1 O5 C28 97.8(6) . . . . ?
O2 Rh1 O5 C28 -78.4(6) . . . . ?
Rh2 Rh1 O5 C28 7.7(6) . . . . ?
O1 Rh2 O6 C28 97.1(6) . . . . ?
O7 Rh2 O6 C28 45(2) . . . . ?
O4 Rh2 O6 C28 -79.4(6) . . . . ?
Rh1 Rh2 O6 C28 7.0(6) . . . . ?
O6 Rh2 O7 C29 -28(2) . . . . ?
O1 Rh2 O7 C29 -80.5(6) . . . . ?
O4 Rh2 O7 C29 95.8(6) . . . . ?
Rh1 Rh2 O7 C29 9.6(6) . . . . ?
O5 Rh1 O8 C29 72(5) . . . . ?
O3 Rh1 O8 C29 -89.0(6) . . . . ?
O2 Rh1 O8 C29 87.2(6) . . . . ?
Rh2 Rh1 O8 C29 1.0(6) . . . . ?
Rh2 O1 C1 O2 -6.7(12) . . . . ?
Rh2 O1 C1 C2 174.0(7) . . . . ?
Rh1 O2 C1 O1 -0.4(12) . . . . ?
Rh1 O2 C1 C2 178.9(7) . . . . ?
Rh1 O3 C3 O4 -10.1(11) . . . . ?
Rh1 O3 C3 C4 169.2(5) . . . . ?
Rh2 O4 C3 O3 2.2(11) . . . . ?
Rh2 O4 C3 C4 -177.0(5) . . . . ?
O3 C3 C4 C5 14.0(10) . . . . ?
O4 C3 C4 C5 -166.7(7) . . . . ?
O3 C3 C4 C27 -160.3(8) . . . . ?
O4 C3 C4 C27 19.0(12) . . . . ?
C27 C4 C5 C6 -1.5(12) . . . . ?
C3 C4 C5 C6 -176.4(7) . . . . ?
C4 C5 C6 C11 -0.4(13) . . . . ?
C4 C5 C6 C7 174.4(8) . . . . ?
C11 C6 C7 C9 -36.1(13) . . . . ?
C5 C6 C7 C9 149.4(9) . . . . ?
C11 C6 C7 C10 -160.2(10) . . . . ?
C5 C6 C7 C10 25.2(13) . . . . ?
C11 C6 C7 C8 83.9(11) . . . . ?
C5 C6 C7 C8 -90.6(10) . . . . ?
C5 C6 C11 C12 2.0(14) . . . . ?
C7 C6 C11 C12 -172.8(9) . . . . ?
C6 C11 C12 C27 -1.5(15) . . . . ?
C6 C11 C12 C13 178.2(10) . . . . ?
C27 C12 C13 C16 8.8(15) . . . . ?
C11 C12 C13 C16 -170.9(10) . . . . ?
C27 C12 C13 C14 130.3(10) . . . . ?
C11 C12 C13 C14 -49.4(14) . . . . ?
C27 C12 C13 C15 -108.4(11) . . . . ?
C11 C12 C13 C15 72.0(12) . . . . ?
C14 C13 C16 C26 -127.8(11) . . . . ?
C12 C13 C16 C26 -6.8(16) . . . . ?
C15 C13 C16 C26 111.3(12) . . . . ?
C14 C13 C16 C17' 31.1(14) . . . . ?
C12 C13 C16 C17' 152.1(9) . . . . ?
C15 C13 C16 C17' -89.8(11) . . . . ?
C14 C13 C16 C17 69.7(12) . . . . ?
C12 C13 C16 C17 -169.3(8) . . . . ?
C15 C13 C16 C17 -51.1(11) . . . . ?
C26 C16 C17 C18 8.3(8) . . . . ?
C17' C16 C17 C18 -81.1(16) . . . . ?
C13 C16 C17 C18 171.8(11) . . . . ?
C16 C17 C18 C23 3.9(11) . . . . ?
C16 C17 C18 C19 175.8(12) . . . . ?
C17 C18 C19 C20 -50.0(16) . . . . ?
C23 C18 C19 C20 121.4(17) . . . . ?
C17 C18 C19 C21 -172.5(12) . . . . ?
C23 C18 C19 C21 -1(2) . . . . ?
C17 C18 C19 C22 69.9(15) . . . . ?
C23 C18 C19 C22 -118.6(17) . . . . ?
C17 C18 C23 C24 -12(2) . . . . ?
C19 C18 C23 C24 175.8(17) . . . . ?
C18 C23 C24 C26 9(3) . . . . ?
C18 C23 C24 C25 -177(2) . . . . ?
C26 C24 C25 O12 179(3) . . . . ?
C23 C24 C25 O12 5(4) . . . . ?
C26 C24 C25 O13 -4(4) . . . . ?
C23 C24 C25 O13 -178(2) . . . . ?
C27 O11 C26 C16 9.3(13) . . . . ?
C27 O11 C26 C24 -177.7(13) . . . . ?
C27 O11 C26 C24' -165.9(13) . . . . ?
C17' C16 C26 O11 -162.4(8) . . . . ?
C17 C16 C26 O11 160.9(8) . . . . ?
C13 C16 C26 O11 -1.6(16) . . . . ?
C17' C16 C26 C24 24.6(16) . . . . ?
C17 C16 C26 C24 -12.1(17) . . . . ?
C13 C16 C26 C24 -174.6(15) . . . . ?
C17' C16 C26 C24' 12.1(18) . . . . ?
C17 C16 C26 C24' -24.6(18) . . . . ?
C13 C16 C26 C24' 172.9(16) . . . . ?
C23 C24 C26 O11 -169.1(16) . . . . ?
C25 C24 C26 O11 17(3) . . . . ?
C23 C24 C26 C16 4(3) . . . . ?
C25 C24 C26 C16 -170(2) . . . . ?
C23 C24 C26 C24' 128(7) . . . . ?
C25 C24 C26 C24' -45(4) . . . . ?
C26 C16 C17' C18' -8.6(8) . . . . ?
C17 C16 C17' C18' 97.8(16) . . . . ?
C13 C16 C17' C18' -169.5(12) . . . . ?
C16 C17' C18' C23' -0.2(12) . . . . ?
C16 C17' C18' C19' -171.4(12) . . . . ?
C17' C18' C19' C22' -125.1(13) . . . . ?
C23' C18' C19' C22' 63.8(18) . . . . ?
C17' C18' C19' C20' 117.0(13) . . . . ?
C23' C18' C19' C20' -54.1(19) . . . . ?
C17' C18' C19' C21' -5.1(17) . . . . ?
C23' C18' C19' C21' -176.2(16) . . . . ?
C17' C18' C23' C24' 7(2) . . . . ?
C19' C18' C23' C24' 178.3(18) . . . . ?
C18' C23' C24' C26 -4(3) . . . . ?
C18' C23' C24' C25' -179.1(18) . . . . ?
O11 C26 C24' C23' 168.3(16) . . . . ?
C16 C26 C24' C23' -7(3) . . . . ?
C24 C26 C24' C23' -69(5) . . . . ?
O11 C26 C24' C25' -17(3) . . . . ?
C16 C26 C24' C25' 168.1(18) . . . . ?
C24 C26 C24' C25' 106(7) . . . . ?
C23' C24' C25' O12' 9(3) . . . . ?
C26 C24' C25' O12' -166(2) . . . . ?
C23' C24' C25' O13' 180(2) . . . . ?
C26 C24' C25' O13' 5(3) . . . . ?
C11 C12 C27 O11 177.3(8) . . . . ?
C13 C12 C27 O11 -2.4(14) . . . . ?
C11 C12 C27 C4 -0.7(14) . . . . ?
C13 C12 C27 C4 179.6(9) . . . . ?
C26 O11 C27 C12 -7.2(12) . . . . ?
C26 O11 C27 C4 170.9(7) . . . . ?
C5 C4 C27 C12 2.1(13) . . . . ?
C3 C4 C27 C12 176.4(8) . . . . ?
C5 C4 C27 O11 -176.0(7) . . . . ?
C3 C4 C27 O11 -1.6(12) . . . . ?
Rh1 O5 C28 O6 -4.4(11) . . . . ?
Rh1 O5 C28 C50 176.4(5) . . . 3_755 ?
Rh2 O6 C28 O5 -3.1(11) . . . . ?
Rh2 O6 C28 C50 176.2(5) . . . 3_755 ?
Rh1 O8 C29 O7 6.9(11) . . . . ?
Rh1 O8 C29 C30 -174.5(5) . . . . ?
Rh2 O7 C29 O8 -12.3(11) . . . . ?
Rh2 O7 C29 C30 169.1(5) . . . . ?
O8 C29 C30 C52 13.3(13) . . . . ?
O7 C29 C30 C52 -167.9(8) . . . . ?
O8 C29 C30 C31 -164.4(8) . . . . ?
O7 C29 C30 C31 14.4(11) . . . . ?
C52 C30 C31 C32 -1.1(13) . . . . ?
C29 C30 C31 C32 176.8(8) . . . . ?
C30 C31 C32 C37 -2.1(14) . . . . ?
C30 C31 C32 C33 -179.7(9) . . . . ?
C31 C32 C33 C36 -126.9(11) . . . . ?
C37 C32 C33 C36 55.6(13) . . . . ?
C31 C32 C33 C34 -1.9(15) . . . . ?
C37 C32 C33 C34 -179.5(10) . . . . ?
C31 C32 C33 C35 114.1(11) . . . . ?
C37 C32 C33 C35 -63.4(12) . . . . ?
C31 C32 C37 C38 3.4(15) . . . . ?
C33 C32 C37 C38 -179.0(9) . . . . ?
C32 C37 C38 C52 -1.2(15) . . . . ?
C32 C37 C38 C39 179.7(9) . . . . ?
C37 C38 C39 C41 -52.1(12) . . . . ?
C52 C38 C39 C41 128.9(10) . . . . ?
C37 C38 C39 C42 -172.8(9) . . . . ?
C52 C38 C39 C42 8.2(13) . . . . ?
C37 C38 C39 C40 69.0(11) . . . . ?
C52 C38 C39 C40 -110.0(10) . . . . ?
C41 C39 C42 C51 -126.8(10) . . . . ?
C38 C39 C42 C51 -6.1(13) . . . . ?
C40 C39 C42 C51 112.0(10) . . . . ?
C41 C39 C42 C43' 67.0(15) . . . . ?
C38 C39 C42 C43' -172.3(12) . . . . ?
C40 C39 C42 C43' -54.2(15) . . . . ?
C41 C39 C42 C43 39.5(14) . . . . ?
C38 C39 C42 C43 160.3(12) . . . . ?
C40 C39 C42 C43 -81.7(13) . . . . ?
C51 C42 C43 C44 -12(2) . . . . ?
C43' C42 C43 C44 67(2) . . . . ?
C39 C42 C43 C44 -178.2(15) . . . . ?
C42 C43 C44 C49 6(3) . . . . ?
C42 C43 C44 C45 -168.5(15) . . . . ?
C49 C44 C45 C46 91(3) . . . . ?
C43 C44 C45 C46 -95(3) . . . . ?
C49 C44 C45 C47 -145(2) . . . . ?
C43 C44 C45 C47 29(2) . . . . ?
C49 C44 C45 C48 -33(2) . . . . ?
C43 C44 C45 C48 141(2) . . . . ?
C43 C44 C49 C50 -2(3) . . . . ?
C45 C44 C49 C50 173.0(16) . . . . ?
C51 C42 C43' C44' 15(2) . . . . ?
C43 C42 C43' C44' -99(3) . . . . ?
C39 C42 C43' C44' -178.2(15) . . . . ?
C42 C43' C44' C49' -13(3) . . . . ?
C42 C43' C44' C45' 165.8(16) . . . . ?
C49' C44' C45' C46' -96(2) . . . . ?
C43' C44' C45' C46' 85(2) . . . . ?
C49' C44' C45' C47' 142(2) . . . . ?
C43' C44' C45' C47' -37(2) . . . . ?
C49' C44' C45' C48' 32(2) . . . . ?
C43' C44' C45' C48' -146.8(18) . . . . ?
C43' C44' C49' C50 11(3) . . . . ?
C45' C44' C49' C50 -168.0(14) . . . . ?
C44' C49' C50 C49 64(3) . . . . ?
C44' C49' C50 C51 -12(2) . . . . ?
C44' C49' C50 C28 176.7(14) . . . 3_755 ?
C44 C49 C50 C49' -112(4) . . . . ?
C44 C49 C50 C51 2(2) . . . . ?
C44 C49 C50 C28 170.7(17) . . . 3_755 ?
C43' C42 C51 O10 164.8(11) . . . . ?
C43 C42 C51 O10 -167.7(12) . . . . ?
C39 C42 C51 O10 -2.4(15) . . . . ?
C43' C42 C51 C50 -14.2(16) . . . . ?
C43 C42 C51 C50 13.3(17) . . . . ?
C39 C42 C51 C50 178.6(9) . . . . ?
C52 O10 C51 C42 9.7(13) . . . . ?
C52 O10 C51 C50 -171.3(7) . . . . ?
C49' C50 C51 C42 14.0(17) . . . . ?
C49 C50 C51 C42 -8.1(15) . . . . ?
C28 C50 C51 C42 -175.8(9) 3_755 . . . ?
C49' C50 C51 O10 -165.1(12) . . . . ?
C49 C50 C51 O10 172.9(11) . . . . ?
C28 C50 C51 O10 5.1(13) 3_755 . . . ?
C51 O10 C52 C38 -7.4(12) . . . . ?
C51 O10 C52 C30 173.9(8) . . . . ?
C37 C38 C52 O10 179.0(8) . . . . ?
C39 C38 C52 O10 -2.0(13) . . . . ?
C37 C38 C52 C30 -2.3(13) . . . . ?
C39 C38 C52 C30 176.7(8) . . . . ?
C31 C30 C52 O10 -177.8(7) . . . . ?
C29 C30 C52 O10 4.5(12) . . . . ?
C31 C30 C52 C38 3.4(13) . . . . ?
C29 C30 C52 C38 -174.3(8) . . . . ?
C68 O15 C67 C66 6(2) . . . . ?
C69 C66 C67 O15 -18(2) . . . . ?
C67 O15 C68 C69 11(2) . . . . ?
O15 C68 C69 C66 -22(3) . . . . ?
C67 C66 C69 C68 24(2) . . . . ?
C90 C91 C92 C93 -163(4) . . . . ?
C91 C92 C93 C94 -175(4) . . . . ?
C92 C93 C94 C95 173(4) . . . . ?
