#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:16:38 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179807 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/03/7010320.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_7010320
loop_
_publ_author_name
'Bickley, Jamie F.'
'Bonar-Law, Richard P.'
'Femoni, Cristina'
'MacLean, Elizabeth J.'
'Steiner, Alexander'
'Teat, Simon J.'
_publ_section_title
;
 Dirhodium(II) carboxylate complexes as building blocks. Synthesis and
 structures of square boxes with tilted walls †
;
_journal_issue                   22
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              4025
_journal_paper_doi               10.1039/b008060h
_journal_year                    2000
_chemical_formula_sum            'C116 H138 Cl16 O54 Rh8'
_chemical_formula_weight         3787.02
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/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                 93.4120(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   28.7103(12)
_cell_length_b                   8.6546(4)
_cell_length_c                   30.3073(13)
_cell_measurement_temperature    150(2)
_cell_volume                     7517.3(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.855
_diffrn_measured_fraction_theta_max 0.855
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_wavelength     0.68850
_diffrn_reflns_av_R_equivalents  0.0511
_diffrn_reflns_av_sigmaI/netI    0.0665
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            52661
_diffrn_reflns_theta_full        29.50
_diffrn_reflns_theta_max         29.50
_diffrn_reflns_theta_min         2.11
_exptl_absorpt_coefficient_mu    1.105
_exptl_absorpt_correction_T_max  0.9890
_exptl_absorpt_correction_T_min  0.9168
_exptl_crystal_density_diffrn    1.673
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3796
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.517
_refine_diff_density_min         -2.250
_refine_diff_density_rms         0.160
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     835
_refine_ls_number_reflns         20907
_refine_ls_number_restraints     87
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0830
_refine_ls_R_factor_gt           0.0573
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0744P)²+18.3237P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1389
_refine_ls_wR_factor_ref         0.1463
_reflns_number_gt                15698
_reflns_number_total             20907
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b008060h.txt
_cod_data_source_block           dart48
_cod_depositor_comments
;
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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0744P)^2^+18.3237P] where P=(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0744P)^2^+18.3237P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      P2/n
_cod_database_code               7010320
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, 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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.678227(12) 0.37719(4) 0.509263(11) 0.01340(7) Uani 1 d . . .
Rh2 Rh 0.683885(12) 0.11055(4) 0.490007(11) 0.01376(8) Uani 1 d . . .
Rh3 Rh 0.505465(12) -0.09241(4) 0.799607(10) 0.01343(7) Uani 1 d . . .
Rh4 Rh 0.485790(12) 0.17577(4) 0.798766(10) 0.01334(7) Uani 1 d . . .
Cl1 Cl 0.53262(5) 0.23986(18) 0.55915(4) 0.0326(3) Uani 1 d . . .
Cl2 Cl 0.47865(5) 0.19744(19) 0.64524(4) 0.0343(3) Uani 1 d . . .
Cl3 Cl 0.63483(8) -0.0412(4) 0.72659(7) 0.0765(7) Uani 1 d . . .
Cl4 Cl 0.68722(6) 0.0124(3) 0.64280(5) 0.0500(4) Uani 1 d . . .
Cl5 Cl 0.57163(5) 0.0244(3) 0.93544(5) 0.0510(5) Uani 1 d . . .
Cl6 Cl 0.65920(5) 0.1020(2) 0.99670(4) 0.0412(4) Uani 1 d . . .
Cl7 Cl 0.74146(7) 0.3386(3) 0.85563(6) 0.0664(6) Uani 1 d . . .
Cl8 Cl 0.65305(7) 0.2659(3) 0.79735(5) 0.0611(6) Uani 1 d . . .
O1 O 0.74093(12) 0.3562(4) 0.54407(11) 0.0219(7) Uani 1 d . . .
O2 O 0.74134(12) 0.0990(4) 0.53221(11) 0.0206(7) Uani 1 d . . .
O3 O 0.72260(11) 0.1764(4) 0.43955(10) 0.0183(6) Uani 1 d . . .
O4 O 0.71200(12) 0.4296(4) 0.45409(10) 0.0180(6) Uani 1 d . . .
O5 O 0.62518(11) 0.1388(4) 0.44966(11) 0.0192(6) Uani 1 d . . .
O6 O 0.61646(12) 0.3834(4) 0.47308(11) 0.0200(6) Uani 1 d . . .
O7 O 0.64481(12) 0.3081(4) 0.56313(10) 0.0206(7) Uani 1 d . . .
O8 O 0.64364(12) 0.0571(4) 0.54122(11) 0.0209(7) Uani 1 d . . .
O9 O 0.72385(12) 0.4876(4) 0.36561(11) 0.0211(7) Uani 1 d . . .
O10 O 0.57088(12) 0.2626(4) 0.37426(11) 0.0247(7) Uani 1 d . . .
O11 O 0.53233(12) -0.0646(4) 0.73963(10) 0.0197(7) Uani 1 d . . .
O12 O 0.51942(13) 0.1930(4) 0.74101(10) 0.0213(7) Uani 1 d . . .
O13 O 0.44167(11) -0.1362(4) 0.76964(10) 0.0180(6) Uani 1 d . . .
O14 O 0.42556(12) 0.1185(4) 0.76538(10) 0.0192(6) Uani 1 d . . .
O15 O 0.45607(12) 0.1433(4) 0.85704(10) 0.0184(6) Uani 1 d . . .
O16 O 0.47674(12) -0.1084(4) 0.85921(10) 0.0187(6) Uani 1 d . . .
O17 O 0.54712(12) 0.2228(4) 0.83314(11) 0.0193(6) Uani 1 d . . .
O18 O 0.56792(12) -0.0296(4) 0.83032(11) 0.0200(7) Uani 1 d . . .
O19 O 0.33357(12) 0.0522(4) 0.75824(12) 0.0248(7) Uani 1 d . . .
O20 O 0.38645(12) -0.0678(4) 0.90862(11) 0.0231(7) Uani 1 d . . .
C1 C 0.75760(16) 0.2235(6) 0.54875(15) 0.0196(9) Uani 1 d . . .
C2 C 0.72542(14) 0.3177(5) 0.43062(14) 0.0139(8) Uani 1 d . . .
C3 C 0.60425(16) 0.2666(5) 0.45040(15) 0.0194(9) Uani 1 d . . .
C4 C 0.63424(16) 0.1678(5) 0.56640(14) 0.0167(8) Uani 1 d . . .
C5 C 0.74818(16) 0.3588(5) 0.38740(15) 0.0180(9) Uani 1 d . . .
C6 C 0.79707(18) 0.4219(7) 0.39976(19) 0.0309(12) Uani 1 d . . .
H6A H 0.8124 0.4495 0.3728 0.046 Uiso 1 calc R . .
H6B H 0.8155 0.3428 0.4160 0.046 Uiso 1 calc R . .
H6C H 0.7946 0.5139 0.4184 0.046 Uiso 1 calc R . .
C7 C 0.75022(19) 0.2229(6) 0.35619(16) 0.0248(10) Uani 1 d . . .
H7A H 0.7186 0.1842 0.3491 0.037 Uiso 1 calc R . .
H7B H 0.7692 0.1406 0.3703 0.037 Uiso 1 calc R . .
H7C H 0.7641 0.2557 0.3290 0.037 Uiso 1 calc R . .
C8 C 0.67730(17) 0.4734(6) 0.35255(15) 0.0204(9) Uani 1 d . . .
C9 C 0.6604(2) 0.5799(6) 0.32095(16) 0.0269(11) Uani 1 d . . .
H9 H 0.6810 0.6521 0.3087 0.032 Uiso 1 calc R . .
C10 C 0.6133(2) 0.5792(6) 0.30766(17) 0.0285(11) Uani 1 d . . .
H10 H 0.6018 0.6505 0.2858 0.034 Uiso 1 calc R . .
C11 C 0.58255(18) 0.4758(6) 0.32586(18) 0.0274(11) Uani 1 d . . .
H11 H 0.5502 0.4773 0.3170 0.033 Uiso 1 calc R . .
C12 C 0.59996(17) 0.3709(6) 0.35705(16) 0.0225(9) Uani 1 d . . .
C13 C 0.64740(17) 0.3658(5) 0.36935(15) 0.0197(9) Uani 1 d . . .
H13 H 0.6593 0.2886 0.3893 0.024 Uiso 1 calc R . .
C14 C 0.55946(16) 0.2791(6) 0.42043(17) 0.0233(10) Uani 1 d . . .
C15 C 0.53503(18) 0.4325(6) 0.42621(18) 0.0270(11) Uani 1 d . . .
H15A H 0.5563 0.5171 0.4198 0.040 Uiso 1 calc R . .
H15B H 0.5258 0.4417 0.4567 0.040 Uiso 1 calc R . .
H15C H 0.5073 0.4379 0.4059 0.040 Uiso 1 calc R . .
C16 C 0.52790(19) 0.1418(6) 0.42823(19) 0.0289(11) Uani 1 d . . .
H16A H 0.5001 0.1476 0.4079 0.043 Uiso 1 calc R . .
H16B H 0.5185 0.1436 0.4588 0.043 Uiso 1 calc R . .
H16C H 0.5448 0.0457 0.4230 0.043 Uiso 1 calc R . .
C17 C 0.60730(16) 0.1287(5) 0.60611(15) 0.0183(9) Uani 1 d . . .
C18 C 0.56091(16) 0.1687(6) 0.60670(14) 0.0188(9) Uani 1 d . . .
C19 C 0.53652(16) 0.1479(5) 0.64480(15) 0.0181(9) Uani 1 d . . .
C20 C 0.55910(16) 0.0845(5) 0.68237(14) 0.0182(9) Uani 1 d . . .
C21 C 0.60487(18) 0.0394(6) 0.68105(15) 0.0241(10) Uani 1 d . . .
C22 C 0.62964(17) 0.0631(6) 0.64312(16) 0.0236(10) Uani 1 d . . .
C23 C 0.53429(16) 0.0689(5) 0.72446(14) 0.0174(8) Uani 1 d . . .
C24 C 0.41556(17) -0.0225(5) 0.76014(14) 0.0177(8) Uani 1 d . . .
C25 C 0.45767(16) 0.0091(6) 0.87451(14) 0.0179(8) Uani 1 d . . .
C26 C 0.57392(16) 0.1096(5) 0.84162(14) 0.0185(8) Uani 1 d . . .
C27 C 0.36620(17) -0.0528(6) 0.73959(15) 0.0206(9) Uani 1 d . . .
C28 C 0.3661(2) -0.0075(6) 0.69114(16) 0.0274(11) Uani 1 d . . .
H28A H 0.3345 -0.0174 0.6775 0.041 Uiso 1 calc R . .
H28B H 0.3872 -0.0756 0.6759 0.041 Uiso 1 calc R . .
H28C H 0.3766 0.0998 0.6887 0.041 Uiso 1 calc R . .
C29 C 0.35018(18) -0.2191(6) 0.74489(16) 0.0229(10) Uani 1 d . . .
H29A H 0.3497 -0.2441 0.7764 0.034 Uiso 1 calc R . .
H29B H 0.3718 -0.2888 0.7309 0.034 Uiso 1 calc R . .
H29C H 0.3188 -0.2314 0.7308 0.034 Uiso 1 calc R . .
C30 C 0.33162(17) 0.0628(6) 0.80295(17) 0.0222(9) Uani 1 d . . .
C31 C 0.29816(19) 0.1647(6) 0.81777(19) 0.0291(11) Uani 1 d . . .
H31 H 0.2777 0.2169 0.7970 0.035 Uiso 1 calc R . .
C32 C 0.2946(2) 0.1900(7) 0.8624(2) 0.0349(13) Uani 1 d . . .
H32 H 0.2715 0.2584 0.8721 0.042 Uiso 1 calc R . .
C33 C 0.3246(2) 0.1165(7) 0.89312(19) 0.0314(12) Uani 1 d . . .
H33 H 0.3227 0.1360 0.9238 0.038 Uiso 1 calc R . .
C34 C 0.35722(17) 0.0144(6) 0.87846(16) 0.0231(10) Uani 1 d . . .
C35 C 0.36026(17) -0.0163(5) 0.83406(16) 0.0203(9) Uani 1 d . . .
H35 H 0.3818 -0.0911 0.8247 0.024 Uiso 1 calc R . .
C36 C 0.43336(17) -0.0081(6) 0.91831(14) 0.0208(9) Uani 1 d . . .
C37 C 0.4319(2) 0.1443(6) 0.94275(16) 0.0279(11) Uani 1 d . . .
H37A H 0.4132 0.2188 0.9249 0.042 Uiso 1 calc R . .
H37B H 0.4637 0.1840 0.9481 0.042 Uiso 1 calc R . .
H37C H 0.4177 0.1287 0.9710 0.042 Uiso 1 calc R . .
C38 C 0.45667(19) -0.1357(6) 0.94664(16) 0.0269(11) Uani 1 d . . .
H38A H 0.4373 -0.1600 0.9713 0.040 Uiso 1 calc R . .
H38B H 0.4874 -0.1005 0.9583 0.040 Uiso 1 calc R . .
H38C H 0.4603 -0.2283 0.9286 0.040 Uiso 1 calc R . .
C39 C 0.61762(16) 0.1447(5) 0.86954(15) 0.0186(9) Uani 1 d . . .
C40 C 0.61960(18) 0.1064(6) 0.91416(16) 0.0255(10) Uani 1 d . . .
C41 C 0.65918(18) 0.1386(6) 0.94069(16) 0.0250(10) Uani 1 d . . .
C42 C 0.69822(17) 0.2046(6) 0.92301(15) 0.0198(9) Uani 1 d . . .
C43 C 0.69544(17) 0.2481(6) 0.87883(16) 0.0239(10) Uani 1 d . . .
C44 C 0.65547(18) 0.2186(6) 0.85227(15) 0.0255(10) Uani 1 d . . .
O100 O 0.67382(15) 0.6275(4) 0.53163(12) 0.0291(8) Uani 1 d DU . .
H100 H 0.6828 0.7068 0.5186 0.044 Uiso 1 calc R . .
C101 C 0.6449(2) 0.6719(9) 0.5661(2) 0.0477(16) Uiso 1 d DU . .
H10A H 0.6489 0.5965 0.5906 0.057 Uiso 1 calc R A 1
H10B H 0.6552 0.7742 0.5777 0.057 Uiso 1 calc R A 1
C102 C 0.5970(4) 0.6799(17) 0.5517(7) 0.072(4) Uiso 0.80(4) d PDU B 1
H10A H 0.5786 0.7108 0.5765 0.107 Uiso 0.80(4) calc PR B 1
H10B H 0.5864 0.5784 0.5409 0.107 Uiso 0.80(4) calc PR B 1
H10C H 0.5928 0.7561 0.5279 0.107 Uiso 0.80(4) calc PR B 1
C112 C 0.5898(11) 0.702(4) 0.5328(13) 0.032(11) Uiso 0.20(4) d PU B 2
H11A H 0.5654 0.7341 0.5522 0.048 Uiso 0.20(4) calc PR B 2
H11B H 0.5805 0.6049 0.5180 0.048 Uiso 0.20(4) calc PR B 2
H11C H 0.5941 0.7819 0.5106 0.048 Uiso 0.20(4) calc PR B 2
O200 O 0.69462(14) -0.1446(4) 0.47214(11) 0.0256(7) Uani 1 d DU . .
H200 H 0.7235 -0.1563 0.4772 0.038 Uiso 1 calc R . .
C201 C 0.6818(2) -0.1905(7) 0.42717(17) 0.0345(13) Uani 1 d DU . .
H20A H 0.7011 -0.2795 0.4188 0.041 Uiso 1 calc R . .
H20B H 0.6874 -0.1041 0.4067 0.041 Uiso 1 calc R . .
C202 C 0.6316(2) -0.2338(8) 0.4240(2) 0.0394(14) Uani 1 d DU . .
H20C H 0.6225 -0.2648 0.3936 0.059 Uiso 1 calc R . .
H20D H 0.6128 -0.1451 0.4322 0.059 Uiso 1 calc R . .
H20E H 0.6265 -0.3202 0.4440 0.059 Uiso 1 calc R . .
O300 O 0.52732(14) -0.3492(4) 0.79954(13) 0.0294(8) Uani 1 d DU . .
C301 C 0.5709(4) -0.3930(16) 0.8208(4) 0.070(4) Uiso 0.773(18) d PDU C 1
H30A H 0.5944 -0.3124 0.8157 0.084 Uiso 0.773(18) calc PR C 1
H30B H 0.5816 -0.4907 0.8077 0.084 Uiso 0.773(18) calc PR C 1
C302 C 0.5670(6) -0.414(2) 0.8696(4) 0.094(5) Uiso 0.773(18) d PDU C 1
H30C H 0.5975 -0.4442 0.8833 0.141 Uiso 0.773(18) calc PR C 1
H30D H 0.5442 -0.4956 0.8747 0.141 Uiso 0.773(18) calc PR C 1
H30E H 0.5569 -0.3174 0.8826 0.141 Uiso 0.773(18) calc PR C 1
C311 C 0.5571(10) -0.382(3) 0.8460(10) 0.034(7) Uiso 0.227(18) d PU C 2
H31A H 0.5477 -0.3069 0.8684 0.041 Uiso 0.227(18) calc PR C 2
H31B H 0.5493 -0.4868 0.8566 0.041 Uiso 0.227(18) calc PR C 2
C312 C 0.6097(15) -0.372(5) 0.8425(15) 0.072(13) Uiso 0.227(18) d PU C 2
H31C H 0.6255 -0.3928 0.8714 0.108 Uiso 0.227(18) calc PR C 2
H31D H 0.6179 -0.2679 0.8327 0.108 Uiso 0.227(18) calc PR C 2
H31E H 0.6196 -0.4480 0.8210 0.108 Uiso 0.227(18) calc PR C 2
O400 O 0.45991(13) 0.4205(4) 0.79528(13) 0.0270(8) Uani 1 d DU . .
H400 H 0.4794 0.4914 0.8006 0.040 Uiso 1 calc R . .
C401 C 0.4170(2) 0.4575(7) 0.8154(2) 0.0378(14) Uani 1 d DU . .
H40A H 0.3976 0.3633 0.8165 0.045 Uiso 1 calc R . .
H40B H 0.3995 0.5348 0.7969 0.045 Uiso 1 calc R . .
C402 C 0.4257(3) 0.5199(8) 0.8609(2) 0.0507(18) Uani 1 d DU . .
H40C H 0.3958 0.5434 0.8734 0.076 Uiso 1 calc R . .
H40D H 0.4444 0.6144 0.8598 0.076 Uiso 1 calc R . .
H40E H 0.4426 0.4429 0.8794 0.076 Uiso 1 calc R . .
O500 O 0.5389(2) -0.4907(8) 0.7221(2) 0.0731(17) Uiso 1 d DU . .
H500 H 0.5568 -0.5110 0.7443 0.110 Uiso 1 calc R . .
C501 C 0.5661(3) -0.4508(13) 0.6858(3) 0.077(3) Uiso 1 d DU . .
H50A H 0.5645 -0.3376 0.6812 0.093 Uiso 1 calc R . .
H50B H 0.5524 -0.5011 0.6587 0.093 Uiso 1 calc R . .
C502 C 0.6150(4) -0.4968(18) 0.6924(5) 0.116(5) Uiso 1 d DU . .
H50C H 0.6317 -0.4678 0.6664 0.175 Uiso 1 calc R . .
H50D H 0.6168 -0.6089 0.6967 0.175 Uiso 1 calc R . .
H50E H 0.6291 -0.4445 0.7186 0.175 Uiso 1 calc R . .
O600 O 0.7824(3) -0.2750(9) 0.4945(2) 0.0810(19) Uiso 1 d U . .
O601 O 0.8377(3) -0.3782(10) 0.5424(3) 0.102(3) Uiso 1 d U . .
C600 C 0.7743(4) -0.2500(14) 0.5727(4) 0.092(3) Uiso 1 d U . .
H60A H 0.7929 -0.2831 0.5991 0.138 Uiso 1 calc R . .
H60B H 0.7432 -0.2967 0.5726 0.138 Uiso 1 calc R . .
H60C H 0.7714 -0.1372 0.5727 0.138 Uiso 1 calc R . .
C601 C 0.7977(4) -0.3002(12) 0.5325(3) 0.072(2) Uiso 1 d U . .
C602 C 0.8573(5) -0.4443(17) 0.5031(5) 0.105(4) Uiso 1 d U . .
H60D H 0.8591 -0.3670 0.4792 0.126 Uiso 1 calc R . .
H60E H 0.8392 -0.5351 0.4919 0.126 Uiso 1 calc R . .
C603 C 0.9095(7) -0.494(2) 0.5240(7) 0.168(7) Uiso 1 d U . .
H60F H 0.9272 -0.5412 0.5009 0.252 Uiso 1 calc R . .
H60G H 0.9063 -0.5680 0.5481 0.252 Uiso 1 calc R . .
H60H H 0.9260 -0.4017 0.5355 0.252 Uiso 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'
O O 0.0080 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1320 0.1590 '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'
H H 0.0000 0.0000 '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
O6 Rh1 O7 90.16(14) . . ?
O6 Rh1 O4 89.65(13) . . ?
O7 Rh1 O4 175.78(13) . . ?
O6 Rh1 O1 176.12(13) . . ?
O7 Rh1 O1 90.15(14) . . ?
O4 Rh1 O1 89.76(14) . . ?
O6 Rh1 Rh2 87.90(9) . . ?
O7 Rh1 Rh2 87.38(9) . . ?
O4 Rh1 Rh2 88.40(9) . . ?
O1 Rh1 Rh2 88.25(9) . . ?
O3 Rh2 O2 91.59(13) . . ?
O3 Rh2 O5 89.12(13) . . ?
O2 Rh2 O5 175.50(13) . . ?
O3 Rh2 O8 176.69(13) . . ?
O2 Rh2 O8 89.16(14) . . ?
O5 Rh2 O8 89.89(14) . . ?
O3 Rh2 Rh1 87.77(9) . . ?
O2 Rh2 Rh1 87.59(9) . . ?
O5 Rh2 Rh1 87.99(9) . . ?
O8 Rh2 Rh1 89.04(9) . . ?
O11 Rh3 O13 90.13(13) . . ?
O11 Rh3 O16 176.75(13) . . ?
O13 Rh3 O16 88.97(13) . . ?
O11 Rh3 O18 90.37(14) . . ?
O13 Rh3 O18 175.20(13) . . ?
O16 Rh3 O18 90.27(13) . . ?
O11 Rh3 Rh4 88.71(9) . . ?
O13 Rh3 Rh4 88.29(9) . . ?
O16 Rh3 Rh4 88.14(9) . . ?
O18 Rh3 Rh4 86.95(9) . . ?
O14 Rh4 O15 90.59(13) . . ?
O14 Rh4 O17 177.28(13) . . ?
O15 Rh4 O17 88.74(13) . . ?
O14 Rh4 O12 91.31(14) . . ?
O15 Rh4 O12 175.19(13) . . ?
O17 Rh4 O12 89.16(14) . . ?
O14 Rh4 Rh3 87.81(9) . . ?
O15 Rh4 Rh3 88.14(9) . . ?
O17 Rh4 Rh3 89.53(9) . . ?
O12 Rh4 Rh3 87.52(9) . . ?
C1 O1 Rh1 117.5(3) . . ?
C1 O2 Rh2 118.3(3) . . ?
C2 O3 Rh2 118.8(3) . . ?
C2 O4 Rh1 117.6(3) . . ?
C3 O5 Rh2 118.2(3) . . ?
C3 O6 Rh1 118.7(3) . . ?
C4 O7 Rh1 118.4(3) . . ?
C4 O8 Rh2 116.0(3) . . ?
C8 O9 C5 119.6(4) . . ?
C12 O10 C14 118.1(4) . . ?
C23 O11 Rh3 117.9(3) . . ?
C23 O12 Rh4 117.5(3) . . ?
C24 O13 Rh3 117.7(3) . . ?
C24 O14 Rh4 118.9(3) . . ?
C25 O15 Rh4 118.8(3) . . ?
C25 O16 Rh3 118.7(3) . . ?
C26 O17 Rh4 116.6(3) . . ?
C26 O18 Rh3 118.6(3) . . ?
C30 O19 C27 119.8(4) . . ?
C34 O20 C36 117.6(4) . . ?
O1 C1 O2 127.4(4) . . ?
O1 C1 C42 118.1(4) . 2_656 ?
O2 C1 C42 114.4(4) . 2_656 ?
O3 C2 O4 126.5(4) . . ?
O3 C2 C5 116.3(4) . . ?
O4 C2 C5 117.2(4) . . ?
O6 C3 O5 126.6(4) . . ?
O6 C3 C14 117.6(4) . . ?
O5 C3 C14 115.8(4) . . ?
O7 C4 O8 128.6(4) . . ?
O7 C4 C17 114.7(4) . . ?
O8 C4 C17 116.7(4) . . ?
O9 C5 C7 110.4(4) . . ?
O9 C5 C6 104.2(4) . . ?
C7 C5 C6 111.2(4) . . ?
O9 C5 C2 110.3(3) . . ?
C7 C5 C2 112.8(4) . . ?
C6 C5 C2 107.6(4) . . ?
O9 C8 C13 124.6(4) . . ?
O9 C8 C9 115.4(4) . . ?
C13 C8 C9 120.0(5) . . ?
C10 C9 C8 119.2(5) . . ?
C9 C10 C11 121.1(5) . . ?
C12 C11 C10 118.7(5) . . ?
O10 C12 C11 120.2(5) . . ?
O10 C12 C13 118.9(4) . . ?
C11 C12 C13 120.8(5) . . ?
C8 C13 C12 119.9(4) . . ?
O10 C14 C15 109.1(4) . . ?
O10 C14 C16 104.0(4) . . ?
C15 C14 C16 112.5(4) . . ?
O10 C14 C3 109.4(4) . . ?
C15 C14 C3 111.7(4) . . ?
C16 C14 C3 109.8(4) . . ?
C18 C17 C22 119.7(4) . . ?
C18 C17 C4 119.8(4) . . ?
C22 C17 C4 120.4(4) . . ?
C17 C18 C19 120.7(4) . . ?
C17 C18 Cl1 119.1(3) . . ?
C19 C18 Cl1 120.1(4) . . ?
C20 C19 C18 119.7(4) . . ?
C20 C19 Cl2 119.8(3) . . ?
C18 C19 Cl2 120.5(4) . . ?
C21 C20 C19 119.3(4) . . ?
C21 C20 C23 120.1(4) . . ?
C19 C20 C23 120.6(4) . . ?
C20 C21 C22 121.0(4) . . ?
C20 C21 Cl3 121.5(4) . . ?
C22 C21 Cl3 117.5(4) . . ?
C17 C22 C21 119.5(4) . . ?
C17 C22 Cl4 120.2(4) . . ?
C21 C22 Cl4 120.3(4) . . ?
O11 C23 O12 127.9(4) . . ?
O11 C23 C20 115.5(4) . . ?
O12 C23 C20 116.5(4) . . ?
O13 C24 O14 126.8(4) . . ?
O13 C24 C27 118.8(4) . . ?
O14 C24 C27 114.5(4) . . ?
O16 C25 O15 126.1(4) . . ?
O16 C25 C36 117.9(4) . . ?
O15 C25 C36 116.0(4) . . ?
O18 C26 O17 127.9(4) . . ?
O18 C26 C39 116.2(4) . . ?
O17 C26 C39 115.9(4) . . ?
O19 C27 C28 104.6(4) . . ?
O19 C27 C29 110.3(4) . . ?
C28 C27 C29 111.3(4) . . ?
O19 C27 C24 109.8(4) . . ?
C28 C27 C24 107.2(4) . . ?
C29 C27 C24 113.3(4) . . ?
O19 C30 C35 125.6(4) . . ?
O19 C30 C31 115.6(5) . . ?
C35 C30 C31 118.8(5) . . ?
C32 C31 C30 120.5(5) . . ?
C31 C32 C33 120.5(5) . . ?
C34 C33 C32 119.0(5) . . ?
C35 C34 C33 121.4(5) . . ?
C35 C34 O20 118.0(4) . . ?
C33 C34 O20 120.5(5) . . ?
C34 C35 C30 119.8(4) . . ?
O20 C36 C37 110.8(4) . . ?
O20 C36 C38 103.1(4) . . ?
C37 C36 C38 112.2(4) . . ?
O20 C36 C25 108.7(3) . . ?
C37 C36 C25 111.3(4) . . ?
C38 C36 C25 110.4(4) . . ?
C44 C39 C40 119.2(4) . . ?
C44 C39 C26 121.8(4) . . ?
C40 C39 C26 119.0(4) . . ?
C41 C40 C39 120.2(4) . . ?
C41 C40 Cl5 121.2(4) . . ?
C39 C40 Cl5 118.6(4) . . ?
C40 C41 C42 120.8(4) . . ?
C40 C41 Cl6 119.2(4) . . ?
C42 C41 Cl6 120.0(4) . . ?
C43 C42 C41 118.7(4) . . ?
C43 C42 C1 121.3(4) . 2_656 ?
C41 C42 C1 119.9(4) . 2_656 ?
C44 C43 C42 120.5(4) . . ?
C44 C43 Cl7 118.4(4) . . ?
C42 C43 Cl7 121.0(4) . . ?
C43 C44 C39 120.4(4) . . ?
C43 C44 Cl8 120.3(4) . . ?
C39 C44 Cl8 119.3(4) . . ?
C102 C101 O100 112.6(9) . . ?
C102 C101 C112 16.4(11) . . ?
O100 C101 C112 98.9(11) . . ?
O200 C201 C202 108.7(5) . . ?
C301 O300 C311 32.9(10) . . ?
O300 C301 C302 111.3(10) . . ?
C312 C311 O300 114(3) . . ?
O400 C401 C402 111.9(5) . . ?
O500 C501 C502 113.1(9) . . ?
C601 O601 C602 112.2(9) . . ?
O600 C601 O601 123.3(10) . . ?
O600 C601 C600 124.1(10) . . ?
O601 C601 C600 112.5(9) . . ?
O601 C602 C603 100.0(11) . . ?
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 O6 2.029(3) . ?
Rh1 O7 2.032(3) . ?
Rh1 O4 2.034(3) . ?
Rh1 O1 2.040(3) . ?
Rh1 Rh2 2.3882(5) . ?
Rh2 O3 2.025(3) . ?
Rh2 O2 2.029(3) . ?
Rh2 O5 2.037(3) . ?
Rh2 O8 2.042(3) . ?
Rh3 O11 2.031(3) . ?
Rh3 O13 2.031(3) . ?
Rh3 O16 2.035(3) . ?
Rh3 O18 2.044(3) . ?
Rh3 Rh4 2.3885(5) . ?
Rh4 O14 2.013(3) . ?
Rh4 O15 2.026(3) . ?
Rh4 O17 2.033(3) . ?
Rh4 O12 2.054(3) . ?
Cl1 C18 1.725(5) . ?
Cl2 C19 1.717(5) . ?
Cl3 C21 1.729(5) . ?
Cl4 C22 1.711(5) . ?
Cl5 C40 1.709(5) . ?
Cl6 C41 1.727(5) . ?
Cl7 C43 1.722(5) . ?
Cl8 C44 1.712(5) . ?
O1 C1 1.248(6) . ?
O2 C1 1.266(6) . ?
O3 C2 1.257(5) . ?
O4 C2 1.275(5) . ?
O5 C3 1.260(6) . ?
O6 C3 1.260(6) . ?
O7 C4 1.257(6) . ?
O8 C4 1.264(5) . ?
O9 C8 1.377(6) . ?
O9 C5 1.454(6) . ?
O10 C12 1.378(6) . ?
O10 C14 1.463(6) . ?
O11 C23 1.246(6) . ?
O12 C23 1.270(6) . ?
O13 C24 1.260(6) . ?
O14 C24 1.261(6) . ?
O15 C25 1.276(6) . ?
O16 C25 1.257(6) . ?
O17 C26 1.262(6) . ?
O18 C26 1.262(6) . ?
O19 C30 1.363(6) . ?
O19 C27 1.444(6) . ?
O20 C34 1.398(6) . ?
O20 C36 1.456(6) . ?
C1 C42 1.496(6) 2_656 ?
C2 C5 1.540(6) . ?
C3 C14 1.533(7) . ?
C4 C17 1.507(6) . ?
C5 C7 1.513(7) . ?
C5 C6 1.532(7) . ?
C8 C13 1.384(7) . ?
C8 C9 1.395(7) . ?
C9 C10 1.390(8) . ?
C10 C11 1.393(8) . ?
C11 C12 1.383(7) . ?
C12 C13 1.391(7) . ?
C14 C15 1.517(7) . ?
C14 C16 1.522(7) . ?
C17 C18 1.377(7) . ?
C17 C22 1.380(7) . ?
C18 C19 1.397(6) . ?
C19 C20 1.389(6) . ?
C20 C21 1.374(7) . ?
C20 C23 1.504(6) . ?
C21 C22 1.402(6) . ?
C24 C27 1.536(7) . ?
C25 C36 1.543(6) . ?
C26 C39 1.502(6) . ?
C27 C28 1.520(7) . ?
C27 C29 1.522(7) . ?
C30 C35 1.393(7) . ?
C30 C31 1.398(7) . ?
C31 C32 1.380(8) . ?
C32 C33 1.384(9) . ?
C33 C34 1.380(7) . ?
C34 C35 1.380(7) . ?
C36 C37 1.515(7) . ?
C36 C38 1.528(7) . ?
C39 C44 1.390(7) . ?
C39 C40 1.390(6) . ?
C40 C41 1.381(7) . ?
C41 C42 1.393(7) . ?
C42 C43 1.389(6) . ?
C42 C1 1.496(6) 2_656 ?
C43 C44 1.386(7) . ?
O100 C101 1.425(7) . ?
C101 C102 1.422(12) . ?
C101 C112 1.84(4) . ?
O200 C201 1.446(6) . ?
C201 C202 1.487(8) . ?
O300 C301 1.423(10) . ?
O300 C311 1.63(3) . ?
C301 C302 1.501(13) . ?
C311 C312 1.52(5) . ?
O400 C401 1.441(6) . ?
C401 C402 1.488(8) . ?
O500 C501 1.428(10) . ?
C501 C502 1.461(12) . ?
O600 C601 1.228(11) . ?
O601 C601 1.349(12) . ?
O601 C602 1.464(15) . ?
C600 C601 1.489(15) . ?
C602 C603 1.65(2) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O100 H100 O200 0.84 1.95 2.761(5) 161.6 1_565
O200 H200 O600 0.84 2.02 2.808(8) 155.5 .
O400 H400 O300 0.84 1.95 2.776(5) 167.6 1_565
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
O6 Rh1 Rh2 O3 94.84(13) . . . . ?
O7 Rh1 Rh2 O3 -174.90(14) . . . . ?
O4 Rh1 Rh2 O3 5.14(13) . . . . ?
O1 Rh1 Rh2 O3 -84.67(14) . . . . ?
O6 Rh1 Rh2 O2 -173.47(13) . . . . ?
O7 Rh1 Rh2 O2 -83.22(14) . . . . ?
O4 Rh1 Rh2 O2 96.82(13) . . . . ?
O1 Rh1 Rh2 O2 7.01(14) . . . . ?
O6 Rh1 Rh2 O5 5.64(13) . . . . ?
O7 Rh1 Rh2 O5 95.90(14) . . . . ?
O4 Rh1 Rh2 O5 -84.06(13) . . . . ?
O1 Rh1 Rh2 O5 -173.87(14) . . . . ?
O6 Rh1 Rh2 O8 -84.28(14) . . . . ?
O7 Rh1 Rh2 O8 5.98(14) . . . . ?
O4 Rh1 Rh2 O8 -173.98(14) . . . . ?
O1 Rh1 Rh2 O8 96.21(14) . . . . ?
O11 Rh3 Rh4 O14 86.51(14) . . . . ?
O13 Rh3 Rh4 O14 -3.67(13) . . . . ?
O16 Rh3 Rh4 O14 -92.69(13) . . . . ?
O18 Rh3 Rh4 O14 176.94(13) . . . . ?
O11 Rh3 Rh4 O15 177.16(14) . . . . ?
O13 Rh3 Rh4 O15 86.99(13) . . . . ?
O16 Rh3 Rh4 O15 -2.03(13) . . . . ?
O18 Rh3 Rh4 O15 -92.40(13) . . . . ?
O11 Rh3 Rh4 O17 -94.08(14) . . . . ?
O13 Rh3 Rh4 O17 175.74(13) . . . . ?
O16 Rh3 Rh4 O17 86.72(13) . . . . ?
O18 Rh3 Rh4 O17 -3.65(13) . . . . ?
O11 Rh3 Rh4 O12 -4.90(14) . . . . ?
O13 Rh3 Rh4 O12 -95.07(13) . . . . ?
O16 Rh3 Rh4 O12 175.91(14) . . . . ?
O18 Rh3 Rh4 O12 85.54(14) . . . . ?
O6 Rh1 O1 C1 -15(2) . . . . ?
O7 Rh1 O1 C1 79.2(3) . . . . ?
O4 Rh1 O1 C1 -96.6(3) . . . . ?
Rh2 Rh1 O1 C1 -8.2(3) . . . . ?
O3 Rh2 O2 C1 79.5(3) . . . . ?
O5 Rh2 O2 C1 -19.5(18) . . . . ?
O8 Rh2 O2 C1 -97.2(3) . . . . ?
Rh1 Rh2 O2 C1 -8.1(3) . . . . ?
O2 Rh2 O3 C2 -97.2(3) . . . . ?
O5 Rh2 O3 C2 78.4(3) . . . . ?
O8 Rh2 O3 C2 6(3) . . . . ?
Rh1 Rh2 O3 C2 -9.7(3) . . . . ?
O6 Rh1 O4 C2 -90.3(3) . . . . ?
O7 Rh1 O4 C2 -3(2) . . . . ?
O1 Rh1 O4 C2 85.8(3) . . . . ?
Rh2 Rh1 O4 C2 -2.4(3) . . . . ?
O3 Rh2 O5 C3 -93.7(3) . . . . ?
O2 Rh2 O5 C3 5.4(18) . . . . ?
O8 Rh2 O5 C3 83.1(3) . . . . ?
Rh1 Rh2 O5 C3 -5.9(3) . . . . ?
O7 Rh1 O6 C3 -94.7(3) . . . . ?
O4 Rh1 O6 C3 81.1(3) . . . . ?
O1 Rh1 O6 C3 0(2) . . . . ?
Rh2 Rh1 O6 C3 -7.3(3) . . . . ?
O6 Rh1 O7 C4 80.8(3) . . . . ?
O4 Rh1 O7 C4 -7(2) . . . . ?
O1 Rh1 O7 C4 -95.3(3) . . . . ?
Rh2 Rh1 O7 C4 -7.1(3) . . . . ?
O3 Rh2 O8 C4 -22(3) . . . . ?
O2 Rh2 O8 C4 80.9(3) . . . . ?
O5 Rh2 O8 C4 -94.7(3) . . . . ?
Rh1 Rh2 O8 C4 -6.7(3) . . . . ?
O13 Rh3 O11 C23 94.3(4) . . . . ?
O16 Rh3 O11 C23 20(3) . . . . ?
O18 Rh3 O11 C23 -80.9(4) . . . . ?
Rh4 Rh3 O11 C23 6.0(3) . . . . ?
O14 Rh4 O12 C23 -82.3(3) . . . . ?
O15 Rh4 O12 C23 30.9(18) . . . . ?
O17 Rh4 O12 C23 95.0(3) . . . . ?
Rh3 Rh4 O12 C23 5.4(3) . . . . ?
O11 Rh3 O13 C24 -87.1(3) . . . . ?
O16 Rh3 O13 C24 89.8(3) . . . . ?
O18 Rh3 O13 C24 8.9(17) . . . . ?
Rh4 Rh3 O13 C24 1.7(3) . . . . ?
O15 Rh4 O14 C24 -81.2(3) . . . . ?
O17 Rh4 O14 C24 -6(3) . . . . ?
O12 Rh4 O14 C24 94.4(3) . . . . ?
Rh3 Rh4 O14 C24 6.9(3) . . . . ?
O14 Rh4 O15 C25 89.2(3) . . . . ?
O17 Rh4 O15 C25 -88.1(3) . . . . ?
O12 Rh4 O15 C25 -24.0(18) . . . . ?
Rh3 Rh4 O15 C25 1.4(3) . . . . ?
O11 Rh3 O16 C25 -11(3) . . . . ?
O13 Rh3 O16 C25 -85.0(3) . . . . ?
O18 Rh3 O16 C25 90.3(3) . . . . ?
Rh4 Rh3 O16 C25 3.3(3) . . . . ?
O14 Rh4 O17 C26 15(3) . . . . ?
O15 Rh4 O17 C26 90.5(3) . . . . ?
O12 Rh4 O17 C26 -85.2(3) . . . . ?
Rh3 Rh4 O17 C26 2.4(3) . . . . ?
O11 Rh3 O18 C26 94.8(3) . . . . ?
O13 Rh3 O18 C26 -1.2(17) . . . . ?
O16 Rh3 O18 C26 -82.0(3) . . . . ?
Rh4 Rh3 O18 C26 6.1(3) . . . . ?
Rh1 O1 C1 O2 4.3(6) . . . . ?
Rh1 O1 C1 C42 -175.5(3) . . . 2_656 ?
Rh2 O2 C1 O1 4.1(6) . . . . ?
Rh2 O2 C1 C42 -176.0(3) . . . 2_656 ?
Rh2 O3 C2 O4 11.2(6) . . . . ?
Rh2 O3 C2 C5 -170.0(3) . . . . ?
Rh1 O4 C2 O3 -4.9(6) . . . . ?
Rh1 O4 C2 C5 176.3(3) . . . . ?
Rh1 O6 C3 O5 4.9(6) . . . . ?
Rh1 O6 C3 C14 -175.1(3) . . . . ?
Rh2 O5 C3 O6 1.9(6) . . . . ?
Rh2 O5 C3 C14 -178.1(3) . . . . ?
Rh1 O7 C4 O8 3.9(7) . . . . ?
Rh1 O7 C4 C17 -176.9(3) . . . . ?
Rh2 O8 C4 O7 3.2(7) . . . . ?
Rh2 O8 C4 C17 -176.0(3) . . . . ?
C8 O9 C5 C7 64.7(5) . . . . ?
C8 O9 C5 C6 -175.8(4) . . . . ?
C8 O9 C5 C2 -60.5(5) . . . . ?
O3 C2 C5 O9 141.3(4) . . . . ?
O4 C2 C5 O9 -39.8(5) . . . . ?
O3 C2 C5 C7 17.4(6) . . . . ?
O4 C2 C5 C7 -163.7(4) . . . . ?
O3 C2 C5 C6 -105.6(5) . . . . ?
O4 C2 C5 C6 73.3(5) . . . . ?
C5 O9 C8 C13 20.3(7) . . . . ?
C5 O9 C8 C9 -161.4(4) . . . . ?
O9 C8 C9 C10 -176.5(4) . . . . ?
C13 C8 C9 C10 1.8(7) . . . . ?
C8 C9 C10 C11 1.0(8) . . . . ?
C9 C10 C11 C12 -1.2(8) . . . . ?
C14 O10 C12 C11 -110.0(5) . . . . ?
C14 O10 C12 C13 74.3(5) . . . . ?
C10 C11 C12 O10 -177.1(4) . . . . ?
C10 C11 C12 C13 -1.6(7) . . . . ?
O9 C8 C13 C12 173.7(4) . . . . ?
C9 C8 C13 C12 -4.5(7) . . . . ?
O10 C12 C13 C8 -179.9(4) . . . . ?
C11 C12 C13 C8 4.4(7) . . . . ?
C12 O10 C14 C15 60.5(5) . . . . ?
C12 O10 C14 C16 -179.3(4) . . . . ?
C12 O10 C14 C3 -62.1(5) . . . . ?
O6 C3 C14 O10 116.7(5) . . . . ?
O5 C3 C14 O10 -63.3(5) . . . . ?
O6 C3 C14 C15 -4.3(6) . . . . ?
O5 C3 C14 C15 175.8(4) . . . . ?
O6 C3 C14 C16 -129.8(5) . . . . ?
O5 C3 C14 C16 50.2(5) . . . . ?
O7 C4 C17 C18 74.5(6) . . . . ?
O8 C4 C17 C18 -106.2(5) . . . . ?
O7 C4 C17 C22 -100.9(5) . . . . ?
O8 C4 C17 C22 78.5(6) . . . . ?
C22 C17 C18 C19 1.9(7) . . . . ?
C4 C17 C18 C19 -173.5(4) . . . . ?
C22 C17 C18 Cl1 -176.2(4) . . . . ?
C4 C17 C18 Cl1 8.5(6) . . . . ?
C17 C18 C19 C20 -0.7(7) . . . . ?
Cl1 C18 C19 C20 177.3(4) . . . . ?
C17 C18 C19 Cl2 -179.8(4) . . . . ?
Cl1 C18 C19 Cl2 -1.7(6) . . . . ?
C18 C19 C20 C21 -1.8(7) . . . . ?
Cl2 C19 C20 C21 177.3(4) . . . . ?
C18 C19 C20 C23 176.7(4) . . . . ?
Cl2 C19 C20 C23 -4.2(6) . . . . ?
C19 C20 C21 C22 3.0(8) . . . . ?
C23 C20 C21 C22 -175.4(5) . . . . ?
C19 C20 C21 Cl3 -179.6(4) . . . . ?
C23 C20 C21 Cl3 1.9(7) . . . . ?
C18 C17 C22 C21 -0.6(7) . . . . ?
C4 C17 C22 C21 174.7(5) . . . . ?
C18 C17 C22 Cl4 179.8(4) . . . . ?
C4 C17 C22 Cl4 -4.8(7) . . . . ?
C20 C21 C22 C17 -1.9(8) . . . . ?
Cl3 C21 C22 C17 -179.3(4) . . . . ?
C20 C21 C22 Cl4 177.7(4) . . . . ?
Cl3 C21 C22 Cl4 0.2(7) . . . . ?
Rh3 O11 C23 O12 -3.5(7) . . . . ?
Rh3 O11 C23 C20 173.7(3) . . . . ?
Rh4 O12 C23 O11 -2.3(7) . . . . ?
Rh4 O12 C23 C20 -179.6(3) . . . . ?
C21 C20 C23 O11 -58.8(6) . . . . ?
C19 C20 C23 O11 122.7(5) . . . . ?
C21 C20 C23 O12 118.8(5) . . . . ?
C19 C20 C23 O12 -59.7(6) . . . . ?
Rh3 O13 C24 O14 3.6(6) . . . . ?
Rh3 O13 C24 C27 -177.0(3) . . . . ?
Rh4 O14 C24 O13 -8.1(6) . . . . ?
Rh4 O14 C24 C27 172.5(3) . . . . ?
Rh3 O16 C25 O15 -3.3(6) . . . . ?
Rh3 O16 C25 C36 176.2(3) . . . . ?
Rh4 O15 C25 O16 0.9(6) . . . . ?
Rh4 O15 C25 C36 -178.7(3) . . . . ?
Rh3 O18 C26 O17 -6.5(6) . . . . ?
Rh3 O18 C26 C39 171.8(3) . . . . ?
Rh4 O17 C26 O18 2.1(6) . . . . ?
Rh4 O17 C26 C39 -176.2(3) . . . . ?
C30 O19 C27 C28 -167.7(4) . . . . ?
C30 O19 C27 C29 72.5(5) . . . . ?
C30 O19 C27 C24 -53.0(5) . . . . ?
O13 C24 C27 O19 139.8(4) . . . . ?
O14 C24 C27 O19 -40.7(5) . . . . ?
O13 C24 C27 C28 -107.1(5) . . . . ?
O14 C24 C27 C28 72.4(5) . . . . ?
O13 C24 C27 C29 16.1(6) . . . . ?
O14 C24 C27 C29 -164.4(4) . . . . ?
C27 O19 C30 C35 2.7(7) . . . . ?
C27 O19 C30 C31 -178.5(4) . . . . ?
O19 C30 C31 C32 -176.9(5) . . . . ?
C35 C30 C31 C32 2.0(8) . . . . ?
C30 C31 C32 C33 0.9(9) . . . . ?
C31 C32 C33 C34 -1.7(9) . . . . ?
C32 C33 C34 C35 -0.5(8) . . . . ?
C32 C33 C34 O20 -176.7(5) . . . . ?
C36 O20 C34 C35 85.3(5) . . . . ?
C36 O20 C34 C33 -98.3(5) . . . . ?
C33 C34 C35 C30 3.4(7) . . . . ?
O20 C34 C35 C30 179.8(4) . . . . ?
O19 C30 C35 C34 174.7(5) . . . . ?
C31 C30 C35 C34 -4.1(7) . . . . ?
C34 O20 C36 C37 67.2(5) . . . . ?
C34 O20 C36 C38 -172.6(4) . . . . ?
C34 O20 C36 C25 -55.5(5) . . . . ?
O16 C25 C36 O20 -83.6(5) . . . . ?
O15 C25 C36 O20 96.0(5) . . . . ?
O16 C25 C36 C37 154.1(4) . . . . ?
O15 C25 C36 C37 -26.3(6) . . . . ?
O16 C25 C36 C38 28.8(6) . . . . ?
O15 C25 C36 C38 -151.7(4) . . . . ?
O18 C26 C39 C44 105.3(6) . . . . ?
O17 C26 C39 C44 -76.2(6) . . . . ?
O18 C26 C39 C40 -76.7(6) . . . . ?
O17 C26 C39 C40 101.8(5) . . . . ?
C44 C39 C40 C41 -1.4(8) . . . . ?
C26 C39 C40 C41 -179.4(5) . . . . ?
C44 C39 C40 Cl5 176.8(4) . . . . ?
C26 C39 C40 Cl5 -1.3(7) . . . . ?
C39 C40 C41 C42 -2.3(8) . . . . ?
Cl5 C40 C41 C42 179.6(4) . . . . ?
C39 C40 C41 Cl6 175.6(4) . . . . ?
Cl5 C40 C41 Cl6 -2.5(7) . . . . ?
C40 C41 C42 C43 4.7(8) . . . . ?
Cl6 C41 C42 C43 -173.1(4) . . . . ?
C40 C41 C42 C1 -173.7(5) . . . 2_656 ?
Cl6 C41 C42 C1 8.5(7) . . . 2_656 ?
C41 C42 C43 C44 -3.5(8) . . . . ?
C1 C42 C43 C44 174.8(5) 2_656 . . . ?
C41 C42 C43 Cl7 176.9(4) . . . . ?
C1 C42 C43 Cl7 -4.8(7) 2_656 . . . ?
C42 C43 C44 C39 -0.1(8) . . . . ?
Cl7 C43 C44 C39 179.5(4) . . . . ?
C42 C43 C44 Cl8 -177.5(4) . . . . ?
Cl7 C43 C44 Cl8 2.1(7) . . . . ?
C40 C39 C44 C43 2.6(8) . . . . ?
C26 C39 C44 C43 -179.4(5) . . . . ?
C40 C39 C44 Cl8 -180.0(4) . . . . ?
C26 C39 C44 Cl8 -2.0(7) . . . . ?
C311 O300 C301 C302 7(2) . . . . ?
C301 O300 C311 C312 21(2) . . . . ?
C602 O601 C601 O600 -6.8(16) . . . . ?
C602 O601 C601 C600 172.6(10) . . . . ?
C601 O601 C602 C603 167.8(11) . . . . ?
