#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/04/7010478.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_7010478
loop_
_publ_author_name
'Cotton, F. Albert'
'Daniels, Lee M.'
'Lin, Chun'
'Murillo, Carlos A.'
'Yu, Shu-Yan'
_publ_section_title
;
 Supramolecular squares with Rh24+ corners
;
_journal_issue                   5
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              502
_journal_paper_doi               10.1039/b009613j
_journal_year                    2001
_chemical_formula_moiety
'[Rh2(DAniF)2(CH3CN)2]4[O2C-cubane-CO2]4(2.8CH3CN)'
_chemical_formula_sum            'C181.6 H200.4 N26.8 O32 Rh8'
_chemical_formula_weight         4093.77
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                96.909(5)
_cell_angle_beta                 100.978(6)
_cell_angle_gamma                96.077(9)
_cell_formula_units_Z            2
_cell_length_a                   20.426(2)
_cell_length_b                   22.682(4)
_cell_length_c                   25.315(3)
_cell_measurement_reflns_used    250
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      20.8
_cell_measurement_theta_min      9.05
_cell_volume                     11330(3)
_computing_cell_refinement       PROCOR
_computing_data_collection       MADNES
_computing_data_reduction        PROCOR
_computing_molecular_graphics    'XP (Siemens, 1990)'
_computing_publication_material  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.955
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_device_type  'Nonius FAST area detector'
_diffrn_measurement_method       'Ellipsoid-mask fitting'
_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  0.1092
_diffrn_reflns_av_sigmaI/netI    0.1215
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            50753
_diffrn_reflns_theta_full        22.64
_diffrn_reflns_theta_max         22.64
_diffrn_reflns_theta_min         2.30
_diffrn_standards_number         'None (area detector data)'
_exptl_absorpt_coefficient_mu    0.630
_exptl_absorpt_correction_T_max  0.884
_exptl_absorpt_correction_T_min  0.516
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.200
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4187
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.509
_refine_diff_density_min         -1.124
_refine_diff_density_rms         0.206
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1099
_refine_ls_number_reflns         28822
_refine_ls_number_restraints     64
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.2222
_refine_ls_R_factor_gt           0.1412
_refine_ls_shift/su_max          0.072
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1876P)²+256.4382P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3480
_refine_ls_wR_factor_ref         0.4113
_reflns_number_gt                17453
_reflns_number_total             28822
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b009613j.txt
_cod_data_source_block           cmpd_3
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (44 times).

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^)+(0.1876P)^2^+256.4382P] 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^)+(0.1876P)^2^+256.4382P] 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      P-1
_cod_original_formula_sum        'C181.60 H200.40 N26.80 O32 Rh8'
_cod_database_code               7010478
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.28733(8) 0.39038(7) 0.65271(7) 0.0485(4) Uani 1 d . . .
Rh2 Rh 0.21329(8) 0.34810(7) 0.70717(6) 0.0479(4) Uani 1 d . . .
Rh3 Rh 0.73302(7) 0.32882(7) 0.94227(6) 0.0431(4) Uani 1 d . . .
Rh4 Rh 0.66279(8) 0.30953(7) 1.00825(6) 0.0431(4) Uani 1 d . . .
Rh5 Rh 0.73752(8) -0.15652(7) 0.85340(6) 0.0438(4) Uani 1 d . . .
Rh6 Rh 0.65823(8) -0.17130(7) 0.91237(6) 0.0429(4) Uani 1 d . . .
Rh7 Rh 0.34251(7) -0.08581(7) 0.52188(6) 0.0404(4) Uani 1 d . . .
Rh8 Rh 0.25664(7) -0.10684(7) 0.57456(6) 0.0420(4) Uani 1 d . . .
N1 N 0.2899(9) 0.4704(8) 0.6989(7) 0.056(4) Uiso 1 d . . .
N2 N 0.2031(8) 0.4320(7) 0.7379(6) 0.047(4) Uiso 1 d . . .
N3 N 0.2037(8) 0.4070(7) 0.6011(7) 0.053(4) Uiso 1 d . . .
N4 N 0.1372(8) 0.3460(7) 0.6432(7) 0.053(4) Uiso 1 d . . .
N5 N 0.8147(8) 0.3327(7) 1.0029(7) 0.054(4) Uiso 1 d . . .
N6 N 0.7482(8) 0.3105(7) 1.0635(7) 0.051(4) Uiso 1 d . . .
N7 N 0.7272(8) 0.4157(7) 0.9602(6) 0.051(4) Uiso 1 d . . .
N8 N 0.6661(8) 0.3984(7) 1.0271(7) 0.052(4) Uiso 1 d . . .
N9 N 0.7142(8) -0.2444(7) 0.8236(6) 0.050(4) Uiso 1 d . . .
N10 N 0.6620(8) -0.2601(7) 0.8964(6) 0.046(4) Uiso 1 d . . .
N11 N 0.8103(8) -0.1722(7) 0.9142(6) 0.049(4) Uiso 1 d . . .
N12 N 0.7366(8) -0.1672(7) 0.9736(7) 0.051(4) Uiso 1 d . . .
N13 N 0.2663(7) -0.0867(7) 0.4564(6) 0.042(4) Uiso 1 d . . .
N14 N 0.1883(8) -0.0899(7) 0.5113(6) 0.045(4) Uiso 1 d . . .
N15 N 0.3422(8) -0.1737(7) 0.5055(6) 0.050(4) Uiso 1 d . . .
N16 N 0.2491(8) -0.1947(7) 0.5422(6) 0.051(4) Uiso 1 d . . .
N21 N 0.3588(11) 0.4185(9) 0.6048(9) 0.077(6) Uiso 1 d . . .
N22 N 0.1551(11) 0.3068(9) 0.7600(9) 0.077(6) Uiso 1 d . . .
N23 N 0.7903(10) 0.3406(8) 0.8753(8) 0.066(5) Uiso 1 d . . .
N24 N 0.5914(8) 0.2871(7) 1.0629(6) 0.048(4) Uiso 1 d . . .
N26 N 0.5808(8) -0.1738(7) 0.9640(7) 0.051(4) Uiso 1 d . . .
N27 N 0.4261(8) -0.0593(7) 0.4792(7) 0.051(4) Uiso 1 d . . .
N28 N 0.1837(9) -0.1273(8) 0.6281(7) 0.058(5) Uiso 1 d . . .
O201 O 0.2811(7) 0.3051(6) 0.6130(6) 0.058(4) Uiso 1 d . . .
O202 O 0.2322(6) 0.2669(6) 0.6748(5) 0.051(3) Uiso 1 d . . .
O203 O 0.3668(7) 0.3691(6) 0.7083(5) 0.054(3) Uiso 1 d . . .
O204 O 0.2985(7) 0.3508(6) 0.7662(5) 0.055(3) Uiso 1 d . . .
O205 O 0.6454(7) 0.3228(6) 0.8861(5) 0.054(3) Uiso 1 d . . .
O206 O 0.5797(7) 0.3102(6) 0.9478(6) 0.058(4) Uiso 1 d . . .
O207 O 0.7323(6) 0.2367(6) 0.9276(5) 0.052(3) Uiso 1 d . . .
O208 O 0.6623(6) 0.2200(6) 0.9833(5) 0.052(3) Uiso 1 d . . .
O209 O 0.7533(7) -0.0658(6) 0.8863(6) 0.057(4) Uiso 1 d . . .
O210 O 0.6606(7) -0.0800(6) 0.9233(5) 0.054(3) Uiso 1 d . . .
O211 O 0.6587(7) -0.1372(6) 0.7976(5) 0.052(3) Uiso 1 d . . .
O212 O 0.5827(6) -0.1718(6) 0.8444(5) 0.049(3) Uiso 1 d . . .
O213 O 0.4122(6) -0.0859(5) 0.5919(5) 0.046(3) Uiso 1 d . . .
O214 O 0.3341(7) -0.1199(6) 0.6361(5) 0.054(3) Uiso 1 d . . .
O215 O 0.3363(6) 0.0034(6) 0.5432(5) 0.048(3) Uiso 1 d . . .
O216 O 0.2700(6) -0.0166(6) 0.6030(5) 0.047(3) Uiso 1 d . . .
O1 O 0.4755(12) 0.6764(11) 0.7156(9) 0.121(7) Uiso 1 d . . .
O2 O 0.0214(10) 0.4886(9) 0.8708(8) 0.103(6) Uiso 1 d . . .
O4 O -0.1136(11) 0.2096(9) 0.6317(8) 0.107(6) Uiso 1 d . . .
O5 O 1.0746(12) 0.3355(10) 0.9568(9) 0.119(7) Uiso 1 d . . .
O6 O 0.7521(11) 0.2583(10) 1.2753(9) 0.112(7) Uiso 1 d . . .
O7 O 0.8380(14) 0.5824(13) 0.8460(11) 0.145(9) Uiso 1 d . . .
O8 O 0.4845(9) 0.4634(8) 1.1560(7) 0.085(5) Uiso 1 d . . .
O10 O 0.6480(12) -0.4098(10) 1.0559(9) 0.116(7) Uiso 1 d . . .
O11 O 1.0774(12) -0.1867(11) 0.8937(10) 0.126(8) Uiso 1 d . . .
O12 O 0.7040(11) -0.1485(10) 1.1899(9) 0.118(7) Uiso 1 d . . .
O13 O 0.3186(11) -0.0414(10) 0.2558(9) 0.111(7) Uiso 1 d . . .
O14 O -0.0807(11) -0.0782(10) 0.5229(9) 0.112(7) Uiso 1 d . . .
C201 C 0.2603(9) 0.2608(8) 0.6359(7) 0.043(4) Uiso 1 d . . .
C202 C 0.2723(11) 0.1996(10) 0.6153(9) 0.057(5) Uiso 1 d . . .
C203 C 0.3330(12) 0.1715(11) 0.6457(10) 0.069(6) Uiso 1 d . . .
C204 C 0.3431(12) 0.1412(10) 0.5877(9) 0.065(6) Uiso 1 d . . .
C205 C 0.2807(11) 0.1136(10) 0.6454(9) 0.062(6) Uiso 1 d . . .
C206 C 0.2965(9) 0.0836(8) 0.5915(8) 0.046(5) Uiso 1 d . . .
C207 C 0.2836(11) 0.1692(10) 0.5589(9) 0.063(6) Uiso 1 d . . .
C208 C 0.2223(12) 0.1417(10) 0.6164(9) 0.065(6) Uiso 1 d . . .
C209 C 0.2369(12) 0.1128(11) 0.5629(10) 0.072(7) Uiso 1 d . . .
C210 C 0.3030(8) 0.0189(7) 0.5797(7) 0.035(4) Uiso 1 d . . .
C211 C 0.3540(11) 0.3543(9) 0.7537(9) 0.055(5) Uiso 1 d . . .
C212 C 0.4142(10) 0.3446(9) 0.7930(8) 0.052(5) Uiso 1 d . . .
C213 C 0.4753(13) 0.3922(12) 0.8136(10) 0.078(7) Uiso 1 d . . .
C214 C 0.5241(15) 0.3421(13) 0.8032(12) 0.091(8) Uiso 1 d . . .
C215 C 0.4588(12) 0.2919(11) 0.7803(10) 0.070(6) Uiso 1 d . . .
C216 C 0.4167(13) 0.3269(11) 0.8519(10) 0.074(7) Uiso 1 d . . .
C217 C 0.4793(13) 0.3727(11) 0.8711(10) 0.074(7) Uiso 1 d . . .
C218 C 0.5282(10) 0.3255(9) 0.8615(8) 0.052(5) Uiso 1 d . . .
C219 C 0.4631(13) 0.2795(11) 0.8412(10) 0.075(7) Uiso 1 d . . .
C220 C 0.5896(9) 0.3192(8) 0.9003(8) 0.045(5) Uiso 1 d . . .
C221 C 0.6966(9) 0.2020(8) 0.9506(7) 0.039(4) Uiso 1 d . . .
C222 C 0.7013(10) 0.1397(9) 0.9388(8) 0.048(5) Uiso 1 d . . .
C223 C 0.7583(14) 0.1053(12) 0.9687(11) 0.084(8) Uiso 1 d . . .
C224 C 0.7611(13) 0.0707(12) 0.9144(10) 0.077(7) Uiso 1 d . . .
C225 C 0.7055(11) 0.1008(10) 0.8848(9) 0.062(6) Uiso 1 d . . .
C226 C 0.6490(13) 0.0866(11) 0.9469(10) 0.074(7) Uiso 1 d . . .
C227 C 0.7089(13) 0.0554(11) 0.9782(10) 0.075(7) Uiso 1 d . . .
C228 C 0.7092(10) 0.0189(9) 0.9207(8) 0.055(5) Uiso 1 d . . .
C229 C 0.6511(13) 0.0500(12) 0.8929(11) 0.081(7) Uiso 1 d . . .
C230 C 0.7091(10) -0.0468(9) 0.9120(8) 0.046(5) Uiso 1 d . . .
C231 C 0.6000(10) -0.1532(9) 0.8012(8) 0.053(5) Uiso 1 d . . .
C232 C 0.5449(10) -0.1400(9) 0.7575(8) 0.048(5) Uiso 1 d . . .
C233 C 0.4690(13) -0.1699(11) 0.7415(10) 0.073(7) Uiso 1 d . . .
C234 C 0.4435(12) -0.1081(11) 0.7408(10) 0.069(6) Uiso 1 d . . .
C235 C 0.5212(12) -0.0770(11) 0.7543(10) 0.070(6) Uiso 1 d . . .
C236 C 0.5465(12) -0.1475(10) 0.6958(9) 0.065(6) Uiso 1 d . . .
C237 C 0.4726(12) -0.1779(11) 0.6828(10) 0.071(6) Uiso 1 d . . .
C238 C 0.4471(11) -0.1154(10) 0.6774(9) 0.064(6) Uiso 1 d . . .
C239 C 0.5242(12) -0.0850(11) 0.6938(10) 0.072(7) Uiso 1 d . . .
C240 C 0.3960(10) -0.1046(9) 0.6333(8) 0.049(5) Uiso 1 d . . .
C1 C 0.2463(11) 0.4789(9) 0.7319(8) 0.056(5) Uiso 1 d . . .
C2 C 0.1436(11) 0.3801(10) 0.6022(9) 0.062(6) Uiso 1 d . . .
C3 C 0.8090(9) 0.3196(8) 1.0509(7) 0.041(4) Uiso 1 d . . .
C4 C 0.6936(9) 0.4361(8) 0.9975(8) 0.045(5) Uiso 1 d . . .
C5 C 0.6871(10) -0.2815(9) 0.8522(8) 0.051(5) Uiso 1 d . . .
C6 C 0.7978(9) -0.1698(8) 0.9657(7) 0.044(5) Uiso 1 d . . .
C7 C 0.2039(9) -0.0846(8) 0.4644(7) 0.040(4) Uiso 1 d . . .
C8 C 0.2955(10) -0.2145(9) 0.5172(8) 0.054(5) Uiso 1 d . . .
C11 C 0.3391(10) 0.5217(9) 0.7005(8) 0.049(5) Uiso 1 d . . .
C12 C 0.3182(12) 0.5792(11) 0.6982(10) 0.068(6) Uiso 1 d . . .
C13 C 0.3637(15) 0.6286(13) 0.7039(12) 0.089(8) Uiso 1 d . . .
C14 C 0.4303(15) 0.6215(13) 0.7101(12) 0.089(8) Uiso 1 d . . .
C15 C 0.4539(13) 0.5660(12) 0.7127(10) 0.075(7) Uiso 1 d . . .
C16 C 0.4058(12) 0.5174(10) 0.7058(9) 0.065(6) Uiso 1 d . . .
C17 C 0.544(2) 0.6723(19) 0.7349(17) 0.141(14) Uiso 1 d . . .
C21 C 0.1595(11) 0.4476(10) 0.7741(9) 0.063(6) Uiso 1 d . . .
C22 C 0.0908(12) 0.4216(10) 0.7597(9) 0.064(6) Uiso 1 d . . .
C23 C 0.0460(14) 0.4369(13) 0.7901(12) 0.090(8) Uiso 1 d . . .
C24 C 0.0699(14) 0.4735(12) 0.8400(11) 0.083(8) Uiso 1 d . . .
C25 C 0.1374(13) 0.4988(11) 0.8563(10) 0.072(7) Uiso 1 d . . .
C26 C 0.1836(11) 0.4840(10) 0.8238(9) 0.059(6) Uiso 1 d . . .
C27 C 0.0388(14) 0.5318(13) 0.9166(12) 0.089(8) Uiso 1 d . . .
C31 C 0.210(2) 0.4469(15) 0.5613(14) 0.046(7) Uiso 0.572(17) d PD A 1
C32 C 0.237(2) 0.499(2) 0.5699(17) 0.087(11) Uiso 0.572(17) d PD A 1
C33 C 0.233(2) 0.5348(19) 0.5266(19) 0.091(12) Uiso 0.572(17) d PD A 1
C34 C 0.221(2) 0.5159(18) 0.4818(16) 0.078(11) Uiso 0.572(17) d PD A 1
C35 C 0.177(3) 0.454(3) 0.467(2) 0.136(19) Uiso 0.572(17) d PD A 1
C36 C 0.177(3) 0.419(2) 0.5069(19) 0.094(12) Uiso 0.572(17) d PD A 1
O3 O 0.199(3) 0.542(2) 0.4268(19) 0.169(17) Uiso 0.572(17) d PD A 1
C37 C 0.146(5) 0.585(4) 0.425(3) 0.19(3) Uiso 0.572(17) d PD A 1
C31' C 0.197(3) 0.437(2) 0.5578(18) 0.046(7) Uiso 0.428(17) d PD A 2
C32' C 0.169(3) 0.483(3) 0.560(2) 0.087(11) Uiso 0.428(17) d PD A 2
C33' C 0.171(3) 0.520(2) 0.518(2) 0.091(12) Uiso 0.428(17) d PD A 2
C34' C 0.192(3) 0.512(2) 0.480(2) 0.078(11) Uiso 0.428(17) d PD A 2
C35' C 0.235(4) 0.459(3) 0.479(3) 0.136(19) Uiso 0.428(17) d PD A 2
C36' C 0.246(3) 0.432(3) 0.523(2) 0.094(12) Uiso 0.428(17) d PD A 2
O3' O 0.224(4) 0.550(3) 0.441(3) 0.169(17) Uiso 0.428(17) d PD A 2
C37' C 0.208(7) 0.614(4) 0.438(5) 0.19(3) Uiso 0.428(17) d PD A 2
C41 C 0.0710(11) 0.3129(10) 0.6389(9) 0.058(5) Uiso 1 d . . .
C42 C 0.0146(14) 0.3388(12) 0.6247(11) 0.082(7) Uiso 1 d . . .
C43 C -0.0495(15) 0.3083(13) 0.6248(12) 0.091(8) Uiso 1 d . . .
C44 C -0.0533(14) 0.2495(12) 0.6344(11) 0.081(7) Uiso 1 d . . .
C45 C 0.0064(14) 0.2229(12) 0.6471(11) 0.082(7) Uiso 1 d . . .
C46 C 0.0663(13) 0.2553(12) 0.6479(10) 0.075(7) Uiso 1 d . . .
C47 C -0.1722(19) 0.2418(17) 0.6182(15) 0.127(12) Uiso 1 d . . .
C51 C 0.8810(10) 0.3344(9) 0.9929(8) 0.047(5) Uiso 1 d . . .
C52 C 0.9188(12) 0.2902(11) 1.0089(10) 0.072(7) Uiso 1 d . . .
C53 C 0.9837(15) 0.2887(13) 0.9967(12) 0.094(9) Uiso 1 d . . .
C54 C 1.0093(13) 0.3340(12) 0.9722(10) 0.075(7) Uiso 1 d . . .
C55 C 0.9749(12) 0.3789(11) 0.9553(10) 0.069(6) Uiso 1 d . . .
C56 C 0.9117(11) 0.3773(10) 0.9666(9) 0.059(6) Uiso 1 d . . .
C57 C 1.114(2) 0.287(2) 0.9725(18) 0.150(15) Uiso 1 d . . .
C61 C 0.7498(11) 0.2965(10) 1.1172(9) 0.059(6) Uiso 1 d . . .
C62 C 0.7806(13) 0.3370(11) 1.1621(10) 0.074(7) Uiso 1 d . . .
C63 C 0.7806(12) 0.3204(11) 1.2162(10) 0.069(6) Uiso 1 d . . .
C64 C 0.7474(13) 0.2671(12) 1.2193(11) 0.075(7) Uiso 1 d . . .
C65 C 0.7176(14) 0.2248(13) 1.1786(11) 0.085(8) Uiso 1 d . . .
C66 C 0.7175(13) 0.2395(11) 1.1204(10) 0.074(7) Uiso 1 d . . .
C67 C 0.7164(19) 0.1989(17) 1.2783(15) 0.123(11) Uiso 1 d . . .
C71 C 0.7566(10) 0.4613(9) 0.9336(8) 0.048(5) Uiso 1 d . . .
C72 C 0.8082(12) 0.5046(11) 0.9609(10) 0.072(7) Uiso 1 d . . .
C73 C 0.8386(13) 0.5478(12) 0.9336(11) 0.080(7) Uiso 1 d . . .
C74 C 0.8152(14) 0.5450(12) 0.8842(11) 0.080(7) Uiso 1 d . . .
C75 C 0.7634(17) 0.5036(15) 0.8514(13) 0.107(10) Uiso 1 d . . .
C76 C 0.7322(14) 0.4589(12) 0.8796(11) 0.083(7) Uiso 1 d . . .
C77 C 0.895(3) 0.626(3) 0.878(2) 0.20(2) Uiso 1 d . . .
C81 C 0.6207(10) 0.4211(9) 1.0595(8) 0.053(5) Uiso 1 d . . .
C82 C 0.6378(11) 0.4231(10) 1.1162(9) 0.061(6) Uiso 1 d . . .
C83 C 0.5879(12) 0.4371(10) 1.1450(9) 0.067(6) Uiso 1 d . . .
C84 C 0.5291(11) 0.4535(10) 1.1202(9) 0.063(6) Uiso 1 d . . .
C85 C 0.5155(12) 0.4558(11) 1.0680(10) 0.068(6) Uiso 1 d . . .
C86 C 0.5608(12) 0.4385(10) 1.0351(9) 0.065(6) Uiso 1 d . . .
C87 C 0.4159(16) 0.4700(14) 1.1302(13) 0.101(9) Uiso 1 d . . .
C91 C 0.732(2) -0.2640(19) 0.7701(13) 0.053(7) Uiso 0.46(3) d PGD B 1
C92 C 0.744(3) -0.326(2) 0.7633(14) 0.096(12) Uiso 0.46(3) d PGD B 1
C93 C 0.737(3) -0.3541(14) 0.7061(15) 0.101(14) Uiso 0.46(3) d PGD B 1
C94 C 0.7153(17) -0.3271(14) 0.6659(13) 0.089(12) Uiso 0.46(3) d PGD B 1
C95 C 0.707(2) -0.2672(15) 0.6706(14) 0.092(11) Uiso 0.46(3) d PGD B 1
C96 C 0.702(3) -0.2438(17) 0.7256(16) 0.069(8) Uiso 0.46(3) d PGD B 1
O9 O 0.730(3) -0.3527(19) 0.6121(14) 0.147(13) Uiso 0.46(3) d PGD B 1
C97 C 0.715(3) -0.316(3) 0.5677(13) 0.38(5) Uiso 1 d G B 1
C91' C 0.721(2) -0.271(2) 0.7740(14) 0.053(7) Uiso 0.54(3) d PD B 2
C92' C 0.768(3) -0.315(2) 0.7748(14) 0.096(12) Uiso 0.54(3) d PD B 2
C93' C 0.776(3) -0.340(2) 0.7200(15) 0.101(14) Uiso 0.54(3) d PD B 2
C94' C 0.759(3) -0.3134(18) 0.6788(14) 0.089(12) Uiso 0.54(3) d PD B 2
C95' C 0.729(3) -0.2626(19) 0.6788(15) 0.092(11) Uiso 0.54(3) d PD B 2
C96' C 0.713(3) -0.242(2) 0.7310(16) 0.069(8) Uiso 0.54(3) d PD B 2
O9' O 0.780(3) -0.337(2) 0.6278(15) 0.147(13) Uiso 0.54(3) d PD B 2
C101 C 0.6603(10) -0.3007(9) 0.9363(8) 0.052(5) Uiso 1 d . . .
C102 C 0.6056(11) -0.3042(10) 0.9610(9) 0.060(6) Uiso 1 d . . .
C103 C 0.6019(12) -0.3394(11) 1.0009(10) 0.071(6) Uiso 1 d . . .
C104 C 0.6569(12) -0.3713(11) 1.0166(9) 0.066(6) Uiso 1 d . . .
C105 C 0.7117(12) -0.3695(11) 0.9916(10) 0.070(6) Uiso 1 d . . .
C106 C 0.7116(11) -0.3342(10) 0.9490(9) 0.060(6) Uiso 1 d . . .
C107 C 0.708(2) -0.4121(17) 1.0940(16) 0.127(12) Uiso 1 d . . .
C111 C 0.8767(9) -0.1772(8) 0.9099(8) 0.045(5) Uiso 1 d . . .
C112 C 0.8878(13) -0.2153(12) 0.8630(11) 0.080(7) Uiso 1 d . . .
C113 C 0.9578(16) -0.2196(14) 0.8561(13) 0.097(9) Uiso 1 d . . .
C114 C 1.0079(15) -0.1870(13) 0.8956(12) 0.091(8) Uiso 1 d . . .
C115 C 1.0009(14) -0.1514(12) 0.9398(11) 0.084(8) Uiso 1 d . . .
C116 C 0.9327(14) -0.1478(12) 0.9473(11) 0.083(8) Uiso 1 d . . .
C117 C 1.084(3) -0.219(3) 0.850(2) 0.19(2) Uiso 1 d . . .
C121 C 0.7317(11) -0.1621(10) 1.0297(9) 0.064(6) Uiso 1 d . . .
C122 C 0.7051(14) -0.1111(12) 1.0527(11) 0.086(8) Uiso 1 d . . .
C123 C 0.6957(16) -0.1122(14) 1.1091(13) 0.102(9) Uiso 1 d . . .
C124 C 0.7125(14) -0.1579(13) 1.1348(11) 0.083(8) Uiso 1 d . . .
C125 C 0.7355(13) -0.2074(11) 1.1126(10) 0.074(7) Uiso 1 d . . .
C126 C 0.7445(11) -0.2095(10) 1.0590(9) 0.065(6) Uiso 1 d . . .
C127 C 0.7211(14) -0.1953(13) 1.2221(11) 0.087(8) Uiso 1 d . . .
C131 C 0.2802(11) -0.0722(10) 0.4054(9) 0.060(6) Uiso 1 d . . .
C132 C 0.3135(11) -0.1084(10) 0.3778(9) 0.065(6) Uiso 1 d . . .
C133 C 0.3282(13) -0.0972(11) 0.3257(10) 0.075(7) Uiso 1 d . . .
C134 C 0.3014(14) -0.0481(12) 0.3058(11) 0.082(7) Uiso 1 d . . .
C135 C 0.2671(13) -0.0117(12) 0.3340(11) 0.081(7) Uiso 1 d . . .
C136 C 0.2557(13) -0.0258(12) 0.3824(11) 0.076(7) Uiso 1 d . . .
C137 C 0.2939(19) 0.0112(17) 0.2327(15) 0.125(12) Uiso 1 d . . .
C141 C 0.1186(10) -0.0862(9) 0.5137(8) 0.051(5) Uiso 1 d . . .
C142 C 0.0666(12) -0.1185(11) 0.4746(10) 0.071(6) Uiso 1 d . . .
C143 C -0.0007(15) -0.1140(13) 0.4772(12) 0.094(8) Uiso 1 d . . .
C144 C -0.0095(15) -0.0762(13) 0.5232(12) 0.090(8) Uiso 1 d . . .
C145 C 0.0377(13) -0.0416(11) 0.5632(10) 0.074(7) Uiso 1 d . . .
C146 C 0.1064(11) -0.0473(10) 0.5577(9) 0.060(6) Uiso 1 d . . .
C147 C -0.0995(17) -0.0463(16) 0.5691(14) 0.113(10) Uiso 1 d . . .
C151 C 0.3927(13) -0.1999(13) 0.4805(12) 0.055(7) Uiso 0.78(2) d PD C 1
C152 C 0.3750(16) -0.2383(14) 0.4343(11) 0.063(8) Uiso 0.78(2) d PD C 1
C153 C 0.429(2) -0.262(2) 0.4114(18) 0.110(13) Uiso 0.78(2) d PD C 1
C154 C 0.494(2) -0.2413(19) 0.4415(18) 0.098(12) Uiso 0.78(2) d PD C 1
C155 C 0.509(2) -0.220(2) 0.4844(18) 0.108(13) Uiso 0.78(2) d PD C 1
C156 C 0.4576(16) -0.1853(16) 0.5041(13) 0.075(9) Uiso 0.78(2) d PD C 1
O15 O 0.5501(16) -0.2748(15) 0.4184(14) 0.135(11) Uiso 0.78(2) d PD C 1
C157 C 0.538(4) -0.308(4) 0.365(4) 0.21(3) Uiso 0.78(2) d PD C 1
C171 C 0.376(4) -0.212(4) 0.469(4) 0.055(7) Uiso 0.22(2) d PD C 2
C172 C 0.343(3) -0.259(4) 0.432(3) 0.063(8) Uiso 0.22(2) d PD C 2
C173 C 0.385(4) -0.287(6) 0.398(4) 0.110(13) Uiso 0.22(2) d PD C 2
C174 C 0.454(4) -0.273(5) 0.419(3) 0.098(12) Uiso 0.22(2) d PD C 2
C175 C 0.477(5) -0.262(5) 0.464(3) 0.108(13) Uiso 0.22(2) d PD C 2
C176 C 0.440(4) -0.217(5) 0.492(3) 0.075(9) Uiso 0.22(2) d PD C 2
O17 O 0.498(5) -0.309(5) 0.383(4) 0.135(11) Uiso 0.22(2) d PD C 2
C177 C 0.559(12) -0.282(9) 0.372(13) 0.21(3) Uiso 0.22(2) d PD C 2
C161 C 0.1981(12) -0.2423(10) 0.5483(11) 0.050(6) Uiso 0.69(4) d PGD D 1
C162 C 0.1357(13) -0.2451(10) 0.5240(12) 0.078(10) Uiso 0.69(4) d PGD D 1
C163 C 0.0857(10) -0.2869(11) 0.5335(13) 0.110(13) Uiso 0.69(4) d PGD D 1
C164 C 0.1143(11) -0.3334(9) 0.5661(11) 0.100(13) Uiso 0.69(4) d PGD D 1
C165 C 0.1772(12) -0.3321(11) 0.5862(12) 0.101(13) Uiso 0.69(4) d PGD D 1
C166 C 0.2180(11) -0.2804(12) 0.5787(12) 0.085(9) Uiso 0.69(4) d PGD D 1
O16 O 0.0616(14) -0.3817(12) 0.5692(16) 0.141(12) Uiso 0.69(4) d PGD D 1
C167 C 0.0038(19) -0.4400(15) 0.515(2) 0.27(5) Uiso 0.69(4) d PG D 1
C181 C 0.209(3) -0.240(2) 0.561(2) 0.050(6) Uiso 0.31(4) d PGD D 2
C182 C 0.145(3) -0.237(2) 0.549(3) 0.078(10) Uiso 0.31(4) d PGD D 2
C183 C 0.097(2) -0.279(2) 0.561(3) 0.110(13) Uiso 0.31(4) d PGD D 2
C184 C 0.130(2) -0.320(2) 0.598(2) 0.100(13) Uiso 0.31(4) d PGD D 2
C185 C 0.193(2) -0.319(2) 0.612(3) 0.101(13) Uiso 0.31(4) d PGD D 2
C186 C 0.232(2) -0.280(3) 0.587(3) 0.085(9) Uiso 0.31(4) d PGD D 2
O18 O 0.079(3) -0.371(2) 0.602(3) 0.141(12) Uiso 0.31(4) d PGD D 2
C187 C 0.003(3) -0.375(3) 0.548(4) 0.15(5) Uiso 0.31(4) d PG D 2
C311 C 0.390(2) 0.432(2) 0.581(2) 0.155(16) Uiso 1 d . . .
C312 C 0.454(6) 0.448(5) 0.547(4) 0.40(6) Uiso 1 d . . .
C321 C 0.126(2) 0.2900(17) 0.7864(16) 0.126(12) Uiso 1 d . . .
C322 C 0.060(5) 0.275(4) 0.812(4) 0.35(5) Uiso 1 d . . .
C331 C 0.8228(16) 0.3509(14) 0.8455(13) 0.097(9) Uiso 1 d . . .
C332 C 0.864(3) 0.374(2) 0.810(2) 0.19(2) Uiso 1 d . . .
C341 C 0.5672(11) 0.2834(9) 1.0990(9) 0.056(5) Uiso 1 d . . .
C342 C 0.5379(12) 0.2811(11) 1.1484(10) 0.073(7) Uiso 1 d . . .
N25 N 0.8048(9) -0.1344(8) 0.7962(8) 0.068(5) Uiso 1 d G . .
C351 C 0.8296(16) -0.1265(17) 0.7612(11) 0.139(14) Uiso 1 d G . .
C352 C 0.886(3) -0.130(4) 0.729(3) 0.37(5) Uiso 1 d G . .
C361 C 0.5495(12) -0.1754(10) 0.9964(10) 0.067(6) Uiso 1 d . . .
C362 C 0.5107(15) -0.1779(14) 1.0384(12) 0.098(9) Uiso 1 d . . .
C381 C 0.1450(16) -0.1424(14) 0.6489(12) 0.095(9) Uiso 1 d . . .
C382 C 0.097(3) -0.178(3) 0.677(2) 0.20(2) Uiso 1 d . . .
C371 C 0.4613(11) -0.0533(10) 0.4500(9) 0.059(6) Uiso 1 d . . .
C372 C 0.5004(13) -0.0492(12) 0.4077(11) 0.080(7) Uiso 1 d . . .
N1S N 0.395(2) 0.076(2) 0.4442(19) 0.206(17) Uiso 1 d . . .
C1S C 0.348(3) 0.120(3) 0.422(2) 0.20(2) Uiso 1 d . . .
C2S C 0.306(3) 0.145(3) 0.413(2) 0.19(2) Uiso 1 d . . .
N2S N -0.130(3) -0.240(2) 0.489(2) 0.107(16) Uiso 0.50 d P . .
C3S C -0.100(3) -0.232(3) 0.537(3) 0.089(16) Uiso 0.50 d P . .
C4S C -0.087(4) -0.216(4) 0.582(4) 0.13(3) Uiso 0.50 d P . .
N3S N 0.921(3) -0.012(3) 0.904(3) 0.13(2) Uiso 0.50 d P . .
C5S C 0.909(5) 0.001(4) 0.955(4) 0.16(3) Uiso 0.50 d P . .
C6S C 0.884(4) 0.000(4) 1.014(3) 0.14(3) Uiso 0.50 d P . .
N4S N 0.862(3) 0.198(2) 0.883(2) 0.106(16) Uiso 0.50 d P . .
C7S C 0.912(6) 0.211(5) 0.867(5) 0.18(4) Uiso 0.50 d P . .
C8S C 0.890(6) 0.242(6) 0.818(5) 0.22(5) Uiso 0.50 d P . .
N6S N 0.526(4) 0.158(3) 0.733(3) 0.10(2) Uiso 0.30 d PG . .
C11S C 0.538(5) 0.140(5) 0.784(3) 0.17(6) Uiso 0.30 d PG . .
C12S C 0.445(6) -0.155(5) 1.166(3) 0.11(3) Uiso 0.30 d PG . .
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 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 '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
N1 Rh1 N3 89.8(7) . . ?
N1 Rh1 O201 173.4(6) . . ?
N3 Rh1 O201 92.2(6) . . ?
N1 Rh1 O203 91.0(6) . . ?
N3 Rh1 O203 175.0(6) . . ?
O201 Rh1 O203 86.6(5) . . ?
N1 Rh1 N21 98.0(7) . . ?
N3 Rh1 N21 96.3(7) . . ?
O201 Rh1 N21 88.1(7) . . ?
O203 Rh1 N21 88.4(7) . . ?
N1 Rh1 Rh2 87.1(5) . . ?
N3 Rh1 Rh2 88.0(5) . . ?
O201 Rh1 Rh2 86.6(4) . . ?
O203 Rh1 Rh2 87.1(4) . . ?
N21 Rh1 Rh2 173.3(6) . . ?
N4 Rh2 N2 92.4(6) . . ?
N4 Rh2 O202 89.6(6) . . ?
N2 Rh2 O202 174.5(6) . . ?
N4 Rh2 O204 173.2(6) . . ?
N2 Rh2 O204 89.8(6) . . ?
O202 Rh2 O204 87.6(5) . . ?
N4 Rh2 N22 97.6(7) . . ?
N2 Rh2 N22 93.4(7) . . ?
O202 Rh2 N22 91.4(7) . . ?
O204 Rh2 N22 88.6(7) . . ?
N4 Rh2 Rh1 87.2(5) . . ?
N2 Rh2 Rh1 88.8(4) . . ?
O202 Rh2 Rh1 86.2(4) . . ?
O204 Rh2 Rh1 86.5(4) . . ?
N22 Rh2 Rh1 174.6(6) . . ?
N7 Rh3 N5 92.2(7) . . ?
N7 Rh3 O205 88.1(6) . . ?
N5 Rh3 O205 174.8(6) . . ?
N7 Rh3 O207 174.7(6) . . ?
N5 Rh3 O207 88.6(6) . . ?
O205 Rh3 O207 90.7(5) . . ?
N7 Rh3 N23 94.8(7) . . ?
N5 Rh3 N23 96.5(7) . . ?
O205 Rh3 N23 88.7(6) . . ?
O207 Rh3 N23 90.3(6) . . ?
N7 Rh3 Rh4 88.2(5) . . ?
N5 Rh3 Rh4 88.0(5) . . ?
O205 Rh3 Rh4 86.8(4) . . ?
O207 Rh3 Rh4 86.6(4) . . ?
N23 Rh3 Rh4 174.5(5) . . ?
N8 Rh4 N6 90.9(7) . . ?
N8 Rh4 O208 175.3(6) . . ?
N6 Rh4 O208 90.2(6) . . ?
N8 Rh4 O206 88.7(6) . . ?
N6 Rh4 O206 175.8(6) . . ?
O208 Rh4 O206 89.9(5) . . ?
N8 Rh4 N24 94.3(6) . . ?
N6 Rh4 N24 96.5(6) . . ?
O208 Rh4 N24 90.2(5) . . ?
O206 Rh4 N24 87.7(6) . . ?
N8 Rh4 Rh3 88.3(5) . . ?
N6 Rh4 Rh3 87.7(5) . . ?
O208 Rh4 Rh3 87.1(4) . . ?
O206 Rh4 Rh3 88.1(4) . . ?
N24 Rh4 Rh3 175.0(4) . . ?
N9 Rh5 N11 92.4(6) . . ?
N9 Rh5 O211 90.3(6) . . ?
N11 Rh5 O211 174.2(6) . . ?
N9 Rh5 O209 174.8(6) . . ?
N11 Rh5 O209 89.4(6) . . ?
O211 Rh5 O209 87.5(5) . . ?
N9 Rh5 N25 96.2(7) . . ?
N11 Rh5 N25 96.9(7) . . ?
O211 Rh5 N25 88.0(6) . . ?
O209 Rh5 N25 88.4(6) . . ?
N9 Rh5 Rh6 87.8(5) . . ?
N11 Rh5 Rh6 87.9(4) . . ?
O211 Rh5 Rh6 87.0(4) . . ?
O209 Rh5 Rh6 87.4(4) . . ?
N25 Rh5 Rh6 173.7(5) . . ?
N12 Rh6 N10 88.2(6) . . ?
N12 Rh6 O210 91.9(6) . . ?
N10 Rh6 O210 174.3(6) . . ?
N12 Rh6 O212 174.6(6) . . ?
N10 Rh6 O212 93.3(6) . . ?
O210 Rh6 O212 86.1(5) . . ?
N12 Rh6 N26 95.5(6) . . ?
N10 Rh6 N26 98.9(6) . . ?
O210 Rh6 N26 86.8(6) . . ?
O212 Rh6 N26 89.5(5) . . ?
N12 Rh6 Rh5 88.0(5) . . ?
N10 Rh6 Rh5 87.7(4) . . ?
O210 Rh6 Rh5 86.6(4) . . ?
O212 Rh6 Rh5 86.8(4) . . ?
N26 Rh6 Rh5 172.6(4) . . ?
N15 Rh7 N13 91.6(6) . . ?
N15 Rh7 O213 88.6(6) . . ?
N13 Rh7 O213 174.6(5) . . ?
N15 Rh7 O215 174.6(6) . . ?
N13 Rh7 O215 88.4(5) . . ?
O213 Rh7 O215 90.9(5) . . ?
N15 Rh7 N27 96.3(6) . . ?
N13 Rh7 N27 95.5(6) . . ?
O213 Rh7 N27 89.8(5) . . ?
O215 Rh7 N27 89.0(5) . . ?
N15 Rh7 Rh8 87.7(5) . . ?
N13 Rh7 Rh8 87.7(4) . . ?
O213 Rh7 Rh8 86.9(3) . . ?
O215 Rh7 Rh8 87.0(4) . . ?
N27 Rh7 Rh8 174.8(4) . . ?
N14 Rh8 N16 91.9(6) . . ?
N14 Rh8 O216 87.5(6) . . ?
N16 Rh8 O216 175.1(6) . . ?
N14 Rh8 O214 174.2(6) . . ?
N16 Rh8 O214 89.5(6) . . ?
O216 Rh8 O214 90.6(5) . . ?
N14 Rh8 N28 96.6(6) . . ?
N16 Rh8 N28 92.4(6) . . ?
O216 Rh8 N28 92.5(6) . . ?
O214 Rh8 N28 88.9(6) . . ?
N14 Rh8 Rh7 87.6(4) . . ?
N16 Rh8 Rh7 87.6(5) . . ?
O216 Rh8 Rh7 87.5(4) . . ?
O214 Rh8 Rh7 86.8(4) . . ?
N28 Rh8 Rh7 175.7(4) . . ?
C1 N1 C11 114.9(17) . . ?
C1 N1 Rh1 121.7(14) . . ?
C11 N1 Rh1 123.4(13) . . ?
C1 N2 C21 113.4(17) . . ?
C1 N2 Rh2 120.1(13) . . ?
C21 N2 Rh2 125.7(13) . . ?
C2 N3 C31' 107(3) . . ?
C2 N3 C31 119(2) . . ?
C31' N3 C31 13(4) . . ?
C2 N3 Rh1 120.8(14) . . ?
C31' N3 Rh1 131(3) . . ?
C31 N3 Rh1 120(2) . . ?
C2 N4 C41 115.6(17) . . ?
C2 N4 Rh2 121.4(14) . . ?
C41 N4 Rh2 122.8(13) . . ?
C3 N5 C51 114.4(17) . . ?
C3 N5 Rh3 121.5(13) . . ?
C51 N5 Rh3 122.2(13) . . ?
C3 N6 C61 114.2(17) . . ?
C3 N6 Rh4 121.8(13) . . ?
C61 N6 Rh4 123.8(13) . . ?
C4 N7 C71 114.7(17) . . ?
C4 N7 Rh3 121.8(13) . . ?
C71 N7 Rh3 123.5(13) . . ?
C4 N8 C81 117.4(17) . . ?
C4 N8 Rh4 120.4(13) . . ?
C81 N8 Rh4 119.1(13) . . ?
C5 N9 C91' 114(2) . . ?
C5 N9 C91 124(2) . . ?
C91' N9 C91 11(3) . . ?
C5 N9 Rh5 119.7(14) . . ?
C91' N9 Rh5 126(2) . . ?
C91 N9 Rh5 117(2) . . ?
C5 N10 C101 114.4(16) . . ?
C5 N10 Rh6 118.9(13) . . ?
C101 N10 Rh6 123.8(12) . . ?
C6 N11 C111 115.7(16) . . ?
C6 N11 Rh5 118.9(12) . . ?
C111 N11 Rh5 124.7(13) . . ?
C6 N12 C121 114.0(17) . . ?
C6 N12 Rh6 122.1(13) . . ?
C121 N12 Rh6 123.9(14) . . ?
C7 N13 C131 117.5(16) . . ?
C7 N13 Rh7 119.0(12) . . ?
C131 N13 Rh7 121.0(13) . . ?
C7 N14 C141 115.6(16) . . ?
C7 N14 Rh8 121.4(13) . . ?
C141 N14 Rh8 122.9(12) . . ?
C8 N15 C151 114.0(19) . . ?
C8 N15 C171 102(4) . . ?
C151 N15 C171 17(3) . . ?
C8 N15 Rh7 123.2(13) . . ?
C151 N15 Rh7 122.8(16) . . ?
C171 N15 Rh7 133(4) . . ?
C8 N16 C181 115(3) . . ?
C8 N16 C161 113.4(17) . . ?
C181 N16 C161 14(3) . . ?
C8 N16 Rh8 121.1(14) . . ?
C181 N16 Rh8 121(3) . . ?
C161 N16 Rh8 125.3(14) . . ?
C311 N21 Rh1 177(3) . . ?
C321 N22 Rh2 176(3) . . ?
C331 N23 Rh3 173(2) . . ?
C341 N24 Rh4 164.2(16) . . ?
C361 N26 Rh6 169.6(17) . . ?
C371 N27 Rh7 167.5(16) . . ?
C381 N28 Rh8 171(2) . . ?
C201 O201 Rh1 118.5(12) . . ?
C201 O202 Rh2 122.1(12) . . ?
C211 O203 Rh1 117.3(13) . . ?
C211 O204 Rh2 119.7(14) . . ?
C220 O205 Rh3 120.7(12) . . ?
C220 O206 Rh4 117.9(12) . . ?
C221 O207 Rh3 120.3(12) . . ?
C221 O208 Rh4 121.9(12) . . ?
C230 O209 Rh5 116.9(12) . . ?
C230 O210 Rh6 119.9(12) . . ?
C231 O211 Rh5 120.0(13) . . ?
C231 O212 Rh6 118.0(12) . . ?
C240 O213 Rh7 122.0(12) . . ?
C240 O214 Rh8 120.3(12) . . ?
C210 O215 Rh7 119.2(11) . . ?
C210 O216 Rh8 118.7(11) . . ?
C17 O1 C14 115(3) . . ?
C27 O2 C24 121(2) . . ?
C44 O4 C47 109(2) . . ?
C54 O5 C57 116(3) . . ?
C64 O6 C67 110(2) . . ?
C74 O7 C77 107(3) . . ?
C84 O8 C87 116(2) . . ?
C107 O10 C104 113(2) . . ?
C117 O11 C114 111(3) . . ?
C124 O12 C127 116(2) . . ?
C134 O13 C137 113(2) . . ?
C147 O14 C144 117(2) . . ?
O202 C201 O201 123.3(18) . . ?
O202 C201 C202 118.2(17) . . ?
O201 C201 C202 118.5(17) . . ?
C201 C202 C203 120.0(18) . . ?
C201 C202 C207 133.7(19) . . ?
C203 C202 C207 90.2(16) . . ?
C201 C202 C208 122.4(18) . . ?
C203 C202 C208 90.8(17) . . ?
C207 C202 C208 88.0(16) . . ?
C202 C203 C205 87.4(16) . . ?
C202 C203 C204 88.5(17) . . ?
C205 C203 C204 87.5(17) . . ?
C207 C204 C206 91.9(17) . . ?
C207 C204 C203 90.6(17) . . ?
C206 C204 C203 90.6(16) . . ?
C208 C205 C206 93.5(17) . . ?
C208 C205 C203 92.0(17) . . ?
C206 C205 C203 90.7(16) . . ?
C210 C206 C209 123.4(17) . . ?
C210 C206 C205 124.1(17) . . ?
C209 C206 C205 85.5(16) . . ?
C210 C206 C204 131.9(17) . . ?
C209 C206 C204 87.5(16) . . ?
C205 C206 C204 90.8(16) . . ?
C204 C207 C209 88.7(17) . . ?
C204 C207 C202 90.7(17) . . ?
C209 C207 C202 90.1(17) . . ?
C205 C208 C209 87.5(18) . . ?
C205 C208 C202 89.7(17) . . ?
C209 C208 C202 90.3(17) . . ?
C208 C209 C207 91.5(18) . . ?
C208 C209 C206 93.5(18) . . ?
C207 C209 C206 92.0(17) . . ?
O216 C210 O215 125.7(16) . . ?
O216 C210 C206 116.6(15) . . ?
O215 C210 C206 117.3(15) . . ?
O204 C211 O203 126(2) . . ?
O204 C211 C212 120.3(19) . . ?
O203 C211 C212 114.1(18) . . ?
C211 C212 C213 123.0(18) . . ?
C211 C212 C216 127.2(19) . . ?
C213 C212 C216 91.6(17) . . ?
C211 C212 C215 122.3(17) . . ?
C213 C212 C215 93.7(17) . . ?
C216 C212 C215 89.2(17) . . ?
C212 C213 C217 88.0(18) . . ?
C212 C213 C214 89.7(19) . . ?
C217 C213 C214 86.3(19) . . ?
C218 C214 C213 92.0(19) . . ?
C218 C214 C215 90.4(19) . . ?
C213 C214 C215 90.1(19) . . ?
C219 C215 C212 88.0(17) . . ?
C219 C215 C214 87.3(18) . . ?
C212 C215 C214 86.5(17) . . ?
C217 C216 C219 88.1(19) . . ?
C217 C216 C212 87.5(18) . . ?
C219 C216 C212 90.8(18) . . ?
C216 C217 C213 92.8(19) . . ?
C216 C217 C218 93.4(18) . . ?
C213 C217 C218 93.6(18) . . ?
C220 C218 C214 126.5(19) . . ?
C220 C218 C219 128.3(18) . . ?
C214 C218 C219 90.5(18) . . ?
C220 C218 C217 124.8(18) . . ?
C214 C218 C217 88.1(18) . . ?
C219 C218 C217 85.6(17) . . ?
C216 C219 C218 92.9(18) . . ?
C216 C219 C215 91.8(19) . . ?
C218 C219 C215 91.6(18) . . ?
O205 C220 O206 125.8(18) . . ?
O205 C220 C218 120.1(17) . . ?
O206 C220 C218 114.1(17) . . ?
O208 C221 O207 123.8(17) . . ?
O208 C221 C222 120.6(17) . . ?
O207 C221 C222 115.5(16) . . ?
C221 C222 C225 130.9(18) . . ?
C221 C222 C226 125.8(17) . . ?
C225 C222 C226 86.6(16) . . ?
C221 C222 C223 125.6(18) . . ?
C225 C222 C223 87.4(16) . . ?
C226 C222 C223 86.6(17) . . ?
C227 C223 C224 90(2) . . ?
C227 C223 C222 93.9(19) . . ?
C224 C223 C222 89.5(19) . . ?
C223 C224 C225 92(2) . . ?
C223 C224 C228 92.5(19) . . ?
C225 C224 C228 90.4(18) . . ?
C224 C225 C222 91.0(17) . . ?
C224 C225 C229 90.7(18) . . ?
C222 C225 C229 92.0(17) . . ?
C229 C226 C222 93.0(18) . . ?
C229 C226 C227 91.4(19) . . ?
C222 C226 C227 90.7(17) . . ?
C223 C227 C228 90.9(19) . . ?
C223 C227 C226 88.8(19) . . ?
C228 C227 C226 86.4(17) . . ?
C230 C228 C224 131.2(19) . . ?
C230 C228 C229 122.9(19) . . ?
C224 C228 C229 90.7(18) . . ?
C230 C228 C227 122.8(18) . . ?
C224 C228 C227 86.3(17) . . ?
C229 C228 C227 91.3(18) . . ?
C226 C229 C228 90.9(19) . . ?
C226 C229 C225 88.3(19) . . ?
C228 C229 C225 88.1(18) . . ?
O210 C230 O209 124.9(18) . . ?
O210 C230 C228 118.3(17) . . ?
O209 C230 C228 116.0(17) . . ?
O211 C231 O212 124.3(19) . . ?
O211 C231 C232 117.1(18) . . ?
O212 C231 C232 117.6(17) . . ?
C231 C232 C236 124.5(17) . . ?
C231 C232 C235 124.2(17) . . ?
C236 C232 C235 90.5(16) . . ?
C231 C232 C233 128.2(18) . . ?
C236 C232 C233 88.1(16) . . ?
C235 C232 C233 89.7(16) . . ?
C237 C233 C234 94.6(19) . . ?
C237 C233 C232 90.6(18) . . ?
C234 C233 C232 91.8(17) . . ?
C233 C234 C238 86.5(17) . . ?
C233 C234 C235 88.7(18) . . ?
C238 C234 C235 88.0(17) . . ?
C239 C235 C232 88.5(17) . . ?
C239 C235 C234 91.5(18) . . ?
C232 C235 C234 89.7(16) . . ?
C239 C236 C237 91.8(18) . . ?
C239 C236 C232 88.6(17) . . ?
C237 C236 C232 89.4(17) . . ?
C233 C237 C236 91.8(19) . . ?
C233 C237 C238 89.7(18) . . ?
C236 C237 C238 90.4(18) . . ?
C240 C238 C237 124.1(19) . . ?
C240 C238 C239 127(2) . . ?
C237 C238 C239 88.3(17) . . ?
C240 C238 C234 126.5(19) . . ?
C237 C238 C234 89.2(17) . . ?
C239 C238 C234 89.4(17) . . ?
C236 C239 C235 92.3(19) . . ?
C236 C239 C238 89.4(17) . . ?
C235 C239 C238 91.1(18) . . ?
O213 C240 O214 122.3(18) . . ?
O213 C240 C238 120.4(18) . . ?
O214 C240 C238 117.1(18) . . ?
N1 C1 N2 119.5(18) . . ?
N3 C2 N4 119(2) . . ?
N5 C3 N6 120.5(17) . . ?
N7 C4 N8 120.6(18) . . ?
N9 C5 N10 120.8(18) . . ?
N12 C6 N11 120.2(17) . . ?
N14 C7 N13 122.1(17) . . ?
N16 C8 N15 118.3(18) . . ?
C16 C11 C12 118(2) . . ?
C16 C11 N1 122.2(19) . . ?
C12 C11 N1 119.6(18) . . ?
C13 C12 C11 121(2) . . ?
C12 C13 C14 118(3) . . ?
C13 C14 C15 123(3) . . ?
C13 C14 O1 115(3) . . ?
C15 C14 O1 122(3) . . ?
C16 C15 C14 116(2) . . ?
C11 C16 C15 123(2) . . ?
C26 C21 C22 120(2) . . ?
C26 C21 N2 122(2) . . ?
C22 C21 N2 118.3(19) . . ?
C23 C22 C21 122(2) . . ?
C22 C23 C24 118(3) . . ?
C23 C24 C25 122(3) . . ?
C23 C24 O2 117(2) . . ?
C25 C24 O2 121(2) . . ?
C24 C25 C26 120(2) . . ?
C21 C26 C25 118(2) . . ?
C32 C31 C36 121(3) . . ?
C32 C31 N3 127(3) . . ?
C36 C31 N3 112(3) . . ?
C31 C32 C33 121(4) . . ?
C34 C33 C32 124(4) . . ?
C33 C34 C35 115(4) . . ?
C33 C34 O3 136(4) . . ?
C35 C34 O3 99(3) . . ?
C36 C35 C34 118(4) . . ?
C35 C36 C31 116(4) . . ?
C37 O3 C34 118(4) . . ?
C32' C31' N3 119(4) . . ?
C32' C31' C36' 118(4) . . ?
N3 C31' C36' 117(4) . . ?
C31' C32' C33' 119(4) . . ?
C34' C33' C32' 128(5) . . ?
C33' C34' C35' 115(4) . . ?
C33' C34' O3' 138(5) . . ?
C35' C34' O3' 99(4) . . ?
C36' C35' C34' 117(5) . . ?
C35' C36' C31' 116(4) . . ?
C37' O3' C34' 119(4) . . ?
C46 C41 C42 120(2) . . ?
C46 C41 N4 119(2) . . ?
C42 C41 N4 121(2) . . ?
C41 C42 C43 121(3) . . ?
C44 C43 C42 118(3) . . ?
C43 C44 C45 120(3) . . ?
C43 C44 O4 126(3) . . ?
C45 C44 O4 114(2) . . ?
C46 C45 C44 119(3) . . ?
C41 C46 C45 122(2) . . ?
C52 C51 C56 116.1(19) . . ?
C52 C51 N5 118.8(19) . . ?
C56 C51 N5 125.1(19) . . ?
C51 C52 C53 120(2) . . ?
C54 C53 C52 119(3) . . ?
C55 C54 C53 124(3) . . ?
C55 C54 O5 113(2) . . ?
C53 C54 O5 123(3) . . ?
C54 C55 C56 115(2) . . ?
C55 C56 C51 126(2) . . ?
C62 C61 C66 123(2) . . ?
C62 C61 N6 121(2) . . ?
C66 C61 N6 115.5(19) . . ?
C61 C62 C63 119(2) . . ?
C64 C63 C62 118(2) . . ?
C65 C64 C63 127(3) . . ?
C65 C64 O6 122(2) . . ?
C63 C64 O6 111(2) . . ?
C64 C65 C66 117(2) . . ?
C61 C66 C65 116(2) . . ?
C76 C71 C72 121(2) . . ?
C76 C71 N7 116.9(19) . . ?
C72 C71 N7 122.1(19) . . ?
C71 C72 C73 122(2) . . ?
C74 C73 C72 116(3) . . ?
C73 C74 C75 128(3) . . ?
C73 C74 O7 128(3) . . ?
C75 C74 O7 104(3) . . ?
C74 C75 C76 115(3) . . ?
C71 C76 C75 118(3) . . ?
C86 C81 C82 121(2) . . ?
C86 C81 N8 120.7(19) . . ?
C82 C81 N8 118.4(18) . . ?
C83 C82 C81 116(2) . . ?
C84 C83 C82 122(2) . . ?
C85 C84 C83 122(2) . . ?
C85 C84 O8 125(2) . . ?
C83 C84 O8 113(2) . . ?
C84 C85 C86 121(2) . . ?
C81 C86 C85 119(2) . . ?
C96 C91 C92 116.1 . . ?
C96 C91 N9 120(3) . . ?
C92 C91 N9 113(3) . . ?
C91 C92 C93 114.6 . . ?
C94 C93 C92 122.3 . . ?
C93 C94 C95 124.2 . . ?
C93 C94 O9 115.5 . . ?
C95 C94 O9 114.6 . . ?
C94 C95 C96 111.6 . . ?
C91 C96 C95 124.1 . . ?
C97 O9 C94 115.8 . . ?
C96' C91' N9 122(3) . . ?
C96' C91' C92' 116(2) . . ?
N9 C91' C92' 116(3) . . ?
C91' C92' C93' 114(2) . . ?
C94' C93' C92' 121(2) . . ?
C93' C94' C95' 126(2) . . ?
C93' C94' O9' 117(2) . . ?
C95' C94' O9' 118(2) . . ?
C94' C95' C96' 113(2) . . ?
C91' C96' C95' 125(2) . . ?
C106 C101 C102 121(2) . . ?
C106 C101 N10 120.8(18) . . ?
C102 C101 N10 117.7(18) . . ?
C103 C102 C101 121(2) . . ?
C102 C103 C104 117(2) . . ?
C105 C104 C103 122(2) . . ?
C105 C104 O10 123(2) . . ?
C103 C104 O10 115(2) . . ?
C104 C105 C106 118(2) . . ?
C101 C106 C105 120(2) . . ?
C116 C111 N11 124.2(19) . . ?
C116 C111 C112 118(2) . . ?
N11 C111 C112 117.9(18) . . ?
C111 C112 C113 119(2) . . ?
C114 C113 C112 116(3) . . ?
C115 C114 C113 127(3) . . ?
C115 C114 O11 111(3) . . ?
C113 C114 O11 122(3) . . ?
C114 C115 C116 117(3) . . ?
C111 C116 C115 123(2) . . ?
C126 C121 N12 120(2) . . ?
C126 C121 C122 121(2) . . ?
N12 C121 C122 119(2) . . ?
C121 C122 C123 115(2) . . ?
C124 C123 C122 120(3) . . ?
C123 C124 C125 125(3) . . ?
C123 C124 O12 111(3) . . ?
C125 C124 O12 123(3) . . ?
C124 C125 C126 117(2) . . ?
C121 C126 C125 121(2) . . ?
C132 C131 C136 119(2) . . ?
C132 C131 N13 119(2) . . ?
C136 C131 N13 122(2) . . ?
C131 C132 C133 122(2) . . ?
C134 C133 C132 115(2) . . ?
C135 C134 O13 127(3) . . ?
C135 C134 C133 123(3) . . ?
O13 C134 C133 110(2) . . ?
C134 C135 C136 118(3) . . ?
C131 C136 C135 123(2) . . ?
C142 C141 C146 122(2) . . ?
C142 C141 N14 121.6(19) . . ?
C146 C141 N14 116.7(18) . . ?
C141 C142 C143 121(2) . . ?
C142 C143 C144 115(3) . . ?
C145 C144 C143 129(3) . . ?
C145 C144 O14 122(3) . . ?
C143 C144 O14 109(3) . . ?
C144 C145 C146 114(2) . . ?
C141 C146 C145 120(2) . . ?
C152 C151 C156 120(3) . . ?
C152 C151 N15 121(2) . . ?
C156 C151 N15 119(2) . . ?
C151 C152 C153 117(3) . . ?
C154 C153 C152 115(4) . . ?
C155 C154 C153 128(5) . . ?
C155 C154 O15 116(4) . . ?
C153 C154 O15 112(4) . . ?
C154 C155 C156 115(4) . . ?
C151 C156 C155 120(3) . . ?
C157 O15 C154 123(4) . . ?
C176 C171 C172 117(4) . . ?
C176 C171 N15 113(5) . . ?
C172 C171 N15 123(6) . . ?
C171 C172 C173 113(4) . . ?
C174 C173 C172 114(4) . . ?
C175 C174 C173 124(6) . . ?
C175 C174 O17 116(5) . . ?
C173 C174 O17 112(5) . . ?
C174 C175 C176 112(5) . . ?
C171 C176 C175 119(4) . . ?
C177 O17 C174 123(5) . . ?
C166 C161 C162 122.0 . . ?
C166 C161 N16 116.7(17) . . ?
C162 C161 N16 121.4(17) . . ?
C161 C162 C163 121.7 . . ?
C162 C163 C164 112.4 . . ?
C165 C164 O16 124.5 . . ?
C165 C164 C163 123.9 . . ?
O16 C164 C163 111.6 . . ?
C164 C165 C166 114.1 . . ?
C161 C166 C165 124.7 . . ?
C164 O16 C167 132.0 . . ?
C186 C181 C182 120.9 . . ?
C186 C181 N16 125(4) . . ?
C182 C181 N16 114(4) . . ?
C181 C182 C183 123.0 . . ?
C182 C183 C184 111.9 . . ?
C185 C184 O18 124.3 . . ?
C185 C184 C183 123.0 . . ?
O18 C184 C183 110.3 . . ?
C184 C185 C186 115.4 . . ?
C181 C186 C185 124.0 . . ?
C184 O18 C187 110.9 . . ?
N21 C311 C312 170(6) . . ?
N22 C321 C322 158(5) . . ?
N23 C331 C332 171(4) . . ?
N24 C341 C342 177(2) . . ?
C351 N25 Rh5 169(2) . . ?
N25 C351 C352 153.8 . . ?
N26 C361 C362 179(3) . . ?
N28 C381 C382 167(4) . . ?
N27 C371 C372 173(2) . . ?
C2S C1S N1S 164(7) . . ?
C4S C3S N2S 162(8) . . ?
N3S C5S C6S 166(9) . . ?
N4S C7S C8S 104(10) . . ?
C12S C11S N6S 147(10) 2_657 . ?
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 N1 2.027(17) . y
Rh1 N3 2.042(17) . y
Rh1 O201 2.049(14) . y
Rh1 O203 2.075(14) . y
Rh1 N21 2.16(2) . y
Rh1 Rh2 2.432(2) . y
Rh2 N4 2.012(17) . y
Rh2 N2 2.015(15) . y
Rh2 O202 2.029(13) . y
Rh2 O204 2.057(14) . y
Rh2 N22 2.18(2) . y
Rh3 N7 1.991(16) . y
Rh3 N5 2.027(17) . y
Rh3 O205 2.043(13) . y
Rh3 O207 2.076(13) . y
Rh3 N23 2.26(2) . y
Rh3 Rh4 2.448(2) . y
Rh4 N8 2.005(16) . y
Rh4 N6 2.014(16) . y
Rh4 O208 2.050(13) . y
Rh4 O206 2.060(14) . y
Rh4 N24 2.253(16) . y
Rh5 N9 2.018(16) . y
Rh5 N11 2.020(16) . y
Rh5 O211 2.053(13) . y
Rh5 O209 2.091(14) . y
Rh5 N25 2.24(2) . y
Rh5 Rh6 2.427(2) . y
Rh6 N12 1.991(16) . y
Rh6 N10 2.020(15) . y
Rh6 O210 2.049(13) . y
Rh6 O212 2.078(13) . y
Rh6 N26 2.236(17) . y
Rh7 N15 1.986(16) . y
Rh7 N13 2.043(15) . y
Rh7 O213 2.050(12) . y
Rh7 O215 2.055(13) . y
Rh7 N27 2.256(17) . y
Rh7 Rh8 2.439(2) . y
Rh8 N14 2.017(15) . y
Rh8 N16 2.040(16) . y
Rh8 O216 2.058(12) . y
Rh8 O214 2.071(13) . y
Rh8 N28 2.246(19) . y
N1 C1 1.35(3) . ?
N1 C11 1.45(2) . ?
N2 C1 1.35(2) . ?
N2 C21 1.43(3) . ?
N3 C2 1.32(3) . ?
N3 C31' 1.36(4) . ?
N3 C31 1.45(3) . ?
N4 C2 1.38(3) . ?
N4 C41 1.45(3) . ?
N5 C3 1.31(2) . ?
N5 C51 1.42(2) . ?
N6 C3 1.34(2) . ?
N6 C61 1.43(3) . ?
N7 C4 1.34(2) . ?
N7 C71 1.44(2) . ?
N8 C4 1.35(2) . ?
N8 C81 1.44(3) . ?
N9 C5 1.32(2) . ?
N9 C91' 1.36(3) . ?
N9 C91 1.50(4) . ?
N10 C5 1.37(2) . ?
N10 C101 1.45(2) . ?
N11 C6 1.37(2) . ?
N11 C111 1.40(2) . ?
N12 C6 1.31(2) . ?
N12 C121 1.43(3) . ?
N13 C7 1.33(2) . ?
N13 C131 1.44(3) . ?
N14 C7 1.30(2) . ?
N14 C141 1.45(2) . ?
N15 C8 1.36(2) . ?
N15 C151 1.45(3) . ?
N15 C171 1.52(6) . ?
N16 C8 1.32(2) . ?
N16 C181 1.41(4) . ?
N16 C161 1.46(2) . ?
N21 C311 1.01(5) . ?
N22 C321 1.05(4) . ?
N23 C331 1.13(3) . ?
N24 C341 1.13(2) . ?
N26 C361 1.13(3) . ?
N27 C371 1.13(2) . ?
N28 C381 1.08(3) . ?
O201 C201 1.29(2) . ?
O202 C201 1.23(2) . ?
O203 C211 1.30(2) . ?
O204 C211 1.23(2) . ?
O205 C220 1.26(2) . ?
O206 C220 1.29(2) . ?
O207 C221 1.28(2) . ?
O208 C221 1.24(2) . ?
O209 C230 1.29(2) . ?
O210 C230 1.28(2) . ?
O211 C231 1.24(2) . ?
O212 C231 1.31(2) . ?
O213 C240 1.27(2) . ?
O214 C240 1.29(2) . ?
O215 C210 1.28(2) . ?
O216 C210 1.27(2) . ?
O1 C17 1.41(4) . ?
O1 C14 1.45(3) . ?
O2 C27 1.39(3) . ?
O2 C24 1.42(3) . ?
O4 C44 1.43(3) . ?
O4 C47 1.47(4) . ?
O5 C54 1.46(3) . ?
O5 C57 1.48(5) . ?
O6 C64 1.44(3) . ?
O6 C67 1.48(4) . ?
O7 C74 1.47(3) . ?
O7 C77 1.48(6) . ?
O8 C84 1.42(3) . ?
O8 C87 1.46(3) . ?
O10 C107 1.42(4) . ?
O10 C104 1.43(3) . ?
O11 C117 1.28(5) . ?
O11 C114 1.43(3) . ?
O12 C124 1.43(3) . ?
O12 C127 1.45(3) . ?
O13 C134 1.40(3) . ?
O13 C137 1.48(4) . ?
O14 C147 1.44(4) . ?
O14 C144 1.45(3) . ?
C201 C202 1.49(3) . ?
C202 C203 1.57(3) . ?
C202 C207 1.58(3) . ?
C202 C208 1.58(3) . ?
C203 C205 1.60(3) . ?
C203 C204 1.60(3) . ?
C204 C207 1.53(3) . ?
C204 C206 1.56(3) . ?
C205 C208 1.52(3) . ?
C205 C206 1.56(3) . ?
C206 C210 1.49(3) . ?
C206 C209 1.55(3) . ?
C207 C209 1.54(3) . ?
C208 C209 1.53(3) . ?
C211 C212 1.48(3) . ?
C212 C213 1.53(3) . ?
C212 C216 1.58(3) . ?
C212 C215 1.62(3) . ?
C213 C217 1.56(3) . ?
C213 C214 1.62(4) . ?
C214 C218 1.56(3) . ?
C214 C215 1.62(4) . ?
C215 C219 1.59(3) . ?
C216 C217 1.52(3) . ?
C216 C219 1.54(3) . ?
C217 C218 1.57(3) . ?
C218 C220 1.47(3) . ?
C218 C219 1.56(3) . ?
C221 C222 1.42(3) . ?
C222 C225 1.56(3) . ?
C222 C226 1.58(3) . ?
C222 C223 1.59(3) . ?
C223 C227 1.51(4) . ?
C223 C224 1.51(4) . ?
C224 C225 1.51(3) . ?
C224 C228 1.54(3) . ?
C225 C229 1.57(3) . ?
C226 C229 1.52(3) . ?
C226 C227 1.60(3) . ?
C227 C228 1.59(3) . ?
C228 C230 1.48(3) . ?
C228 C229 1.54(3) . ?
C231 C232 1.50(3) . ?
C232 C236 1.56(3) . ?
C232 C235 1.56(3) . ?
C232 C233 1.58(3) . ?
C233 C237 1.49(3) . ?
C233 C234 1.55(3) . ?
C234 C238 1.61(3) . ?
C234 C235 1.62(3) . ?
C235 C239 1.53(3) . ?
C236 C239 1.54(3) . ?
C236 C237 1.55(3) . ?
C237 C238 1.57(3) . ?
C238 C240 1.44(3) . ?
C238 C239 1.61(3) . ?
C11 C16 1.36(3) . ?
C11 C12 1.42(3) . ?
C12 C13 1.35(3) . ?
C13 C14 1.37(4) . ?
C14 C15 1.40(4) . ?
C15 C16 1.37(3) . ?
C21 C26 1.39(3) . ?
C21 C22 1.42(3) . ?
C22 C23 1.35(3) . ?
C23 C24 1.39(4) . ?
C24 C25 1.40(3) . ?
C25 C26 1.40(3) . ?
C31 C32 1.22(5) . ?
C31 C36 1.45(5) . ?
C32 C33 1.44(5) . ?
C33 C34 1.13(4) . ?
C34 C35 1.55(6) . ?
C34 O3 1.58(4) . ?
C35 C36 1.35(6) . ?
O3 C37 1.53(8) . ?
C31' C32' 1.22(5) . ?
C31' C36' 1.45(5) . ?
C32' C33' 1.44(5) . ?
C33' C34' 1.13(5) . ?
C34' C35' 1.55(6) . ?
C34' O3' 1.58(5) . ?
C35' C36' 1.35(6) . ?
O3' C37' 1.52(8) . ?
C41 C46 1.35(3) . ?
C41 C42 1.36(3) . ?
C42 C43 1.41(4) . ?
C43 C44 1.38(4) . ?
C44 C45 1.42(4) . ?
C45 C46 1.35(3) . ?
C51 C52 1.38(3) . ?
C51 C56 1.40(3) . ?
C52 C53 1.42(4) . ?
C53 C54 1.37(4) . ?
C54 C55 1.36(3) . ?
C55 C56 1.37(3) . ?
C61 C62 1.37(3) . ?
C61 C66 1.41(3) . ?
C62 C63 1.46(3) . ?
C63 C64 1.34(3) . ?
C64 C65 1.32(3) . ?
C65 C66 1.55(4) . ?
C71 C76 1.36(3) . ?
C71 C72 1.38(3) . ?
C72 C73 1.42(3) . ?
C73 C74 1.24(3) . ?
C74 C75 1.40(4) . ?
C75 C76 1.47(4) . ?
C81 C86 1.38(3) . ?
C81 C82 1.41(3) . ?
C82 C83 1.40(3) . ?
C83 C84 1.35(3) . ?
C84 C85 1.31(3) . ?
C85 C86 1.41(3) . ?
C91 C96 1.3325 . ?
C91 C92 1.4553 . ?
C92 C93 1.4820 . ?
C93 C94 1.2790 . ?
C94 C95 1.3786 . ?
C94 O9 1.5078 . ?
C95 C96 1.4562 . ?
O9 C97 1.4760 . ?
C91' C96' 1.327(18) . ?
C91' C92' 1.458(18) . ?
C92' C93' 1.479(18) . ?
C93' C94' 1.280(18) . ?
C94' C95' 1.366(18) . ?
C94' O9' 1.495(18) . ?
C95' C96' 1.453(18) . ?
C101 C106 1.37(3) . ?
C101 C102 1.38(3) . ?
C102 C103 1.37(3) . ?
C103 C104 1.42(3) . ?
C104 C105 1.39(3) . ?
C105 C106 1.42(3) . ?
C111 C116 1.39(3) . ?
C111 C112 1.45(3) . ?
C112 C113 1.49(4) . ?
C113 C114 1.37(4) . ?
C114 C115 1.34(4) . ?
C115 C116 1.45(4) . ?
C121 C126 1.40(3) . ?
C121 C122 1.44(3) . ?
C122 C123 1.48(4) . ?
C123 C124 1.33(4) . ?
C124 C125 1.36(3) . ?
C125 C126 1.40(3) . ?
C131 C132 1.34(3) . ?
C131 C136 1.36(3) . ?
C132 C133 1.45(3) . ?
C133 C134 1.40(4) . ?
C134 C135 1.36(3) . ?
C135 C136 1.36(3) . ?
C141 C142 1.38(3) . ?
C141 C146 1.41(3) . ?
C142 C143 1.40(4) . ?
C143 C144 1.41(4) . ?
C144 C145 1.36(3) . ?
C145 C146 1.45(3) . ?
C151 C152 1.33(4) . ?
C151 C156 1.34(4) . ?
C152 C153 1.47(5) . ?
C153 C154 1.40(6) . ?
C154 C155 1.11(5) . ?
C154 O15 1.59(5) . ?
C155 C156 1.50(5) . ?
O15 C157 1.44(8) . ?
C171 C176 1.34(4) . ?
C171 C172 1.35(4) . ?
C172 C173 1.48(5) . ?
C173 C174 1.41(6) . ?
C174 C175 1.11(5) . ?
C174 O17 1.59(5) . ?
C175 C176 1.51(5) . ?
O17 C177 1.44(9) . ?
C161 C166 1.2732 . ?
C161 C162 1.2965 . ?
C162 C163 1.3947 . ?
C163 C164 1.5114 . ?
C164 C165 1.2843 . ?
C164 O16 1.4728 . ?
C165 C166 1.4176 . ?
O16 C167 1.9127 . ?
C181 C186 1.2834 . ?
C181 C182 1.2971 . ?
C182 C183 1.3891 . ?
C183 C184 1.5264 . ?
C184 C185 1.2738 . ?
C184 O18 1.4808 . ?
C185 C186 1.4181 . ?
O18 C187 1.8421 . ?
C311 C312 1.73(11) . ?
C321 C322 1.63(10) . ?
C331 C332 1.45(6) . ?
C341 C342 1.49(3) . ?
N25 C351 1.1255 . ?
C351 C352 1.5290 . ?
C361 C362 1.45(4) . ?
C381 C382 1.52(6) . ?
C371 C372 1.46(3) . ?
N1S C1S 1.55(7) . ?
C1S C2S 1.07(7) . ?
N2S C3S 1.21(7) . ?
C3S C4S 1.14(8) . ?
N3S C5S 1.36(10) . ?
C5S C6S 1.67(12) . ?
N4S C7S 1.20(11) . ?
C7S C8S 1.51(14) . ?
N6S C11S 1.3939 . ?
C11S C12S 1.25(16) 2_657 ?
C12S C11S 1.25(18) 2_657 ?
