#------------------------------------------------------------------------------
#$Date: 2021-02-05 01:14:54 +0200 (Fri, 05 Feb 2021) $
#$Revision: 261674 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/59/7705980.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_7705980
loop_
_publ_author_name
'Cheng, Ming-Chuan'
'Lee, Gene-Hsiang'
'Lin, Tien-Sung'
'Liu, Yu-Chiao'
'Chiang, Ming-Hsi'
'Peng, Shie-Ming'
_publ_section_title
;
 A new series of heteronuclear metal strings,
 MRhRh(dpa)₄Cl₂ and
 MRhRhM(dpa)₄X₂, from the reactions of
 Rh₂(dpa)₄ with metal ions of group 7 to group 12.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              520
_journal_page_last               534
_journal_paper_doi               10.1039/d0dt03311a
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C44 H42 Cd Cl2 N12 O Rh2'
_chemical_formula_weight         1144.01
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-09-21 deposited with the CCDC.	2020-12-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.6243(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.1176(7)
_cell_length_b                   15.8659(6)
_cell_length_c                   17.1805(7)
_cell_measurement_reflns_used    9531
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.30
_cell_measurement_theta_min      2.28
_cell_volume                     4343.7(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'BRUKER SMART APEXCCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0334
_diffrn_reflns_av_unetI/netI     0.0328
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            33084
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.496
_diffrn_reflns_theta_min         1.278
_exptl_absorpt_coefficient_mu    1.410
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.7018
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.749
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2280
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.240
_refine_diff_density_max         0.991
_refine_diff_density_min         -0.867
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.315
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     730
_refine_ls_number_reflns         9963
_refine_ls_number_restraints     312
_refine_ls_restrained_S_all      1.300
_refine_ls_R_factor_all          0.0653
_refine_ls_R_factor_gt           0.0590
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0010P)²+21.8509P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1078
_refine_ls_wR_factor_ref         0.1101
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9050
_reflns_number_total             9963
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt03311a2.cif
_cod_data_source_block           ic17037_disorder
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not_measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7705966--7705984.cif.
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7705980
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.711
_shelx_estimated_absorpt_t_max   0.728
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd1 Cd 0.37240(10) 0.44805(10) 0.18388(10) 0.0270(3) Uani 0.674(4) 1 d . . P A
1
Rh1 Rh 0.15191(10) 0.57846(10) 0.32595(10) 0.0223(2) Uani 0.674(4) 1 d . . P A
1
Cl1 Cl 0.0433(4) 0.6477(3) 0.3955(3) 0.0379(7) Uani 0.674(4) 1 d . . P A 1
Cl2 Cl 0.4772(6) 0.3851(7) 0.1141(7) 0.0411(10) Uani 0.674(4) 1 d . . P A 1
Cd1' Cd 0.1416(2) 0.59355(19) 0.34242(18) 0.0223(2) Uani 0.326(4) 1 d . . P A 2
Rh1' Rh 0.3547(2) 0.4581(3) 0.1944(2) 0.0270(3) Uani 0.326(4) 1 d . . P A 2
Cl1' Cl 0.0485(9) 0.6684(7) 0.4100(8) 0.0379(7) Uani 0.326(4) 1 d . . P A 2
Cl2' Cl 0.4635(14) 0.3940(16) 0.1198(17) 0.0411(10) Uani 0.326(4) 1 d . . P A 2
Rh2 Rh 0.25394(2) 0.51802(2) 0.25920(2) 0.01835(9) Uani 1 1 d . . . . .
N1 N 0.1075(8) 0.4531(8) 0.3388(7) 0.0181(15) Uani 0.674(4) 1 d . U P A 1
N2 N 0.1796(11) 0.4137(12) 0.2384(10) 0.0202(16) Uani 0.674(4) 1 d . U P A 1
N3 N 0.2589(7) 0.3752(8) 0.1426(8) 0.0223(16) Uani 0.674(4) 1 d . U P A 1
N4 N 0.2000(6) 0.6934(6) 0.2975(7) 0.0210(16) Uani 0.674(4) 1 d . U P A 1
N5 N 0.3210(10) 0.6256(12) 0.2772(11) 0.0211(16) Uani 0.674(4) 1 d . U P A 1
N6 N 0.4400(8) 0.5470(7) 0.2543(7) 0.0229(16) Uani 0.674(4) 1 d . U P A 1
N7 N 0.0755(10) 0.5766(11) 0.2217(7) 0.0227(15) Uani 0.674(4) 1 d . U P A 1
N8 N 0.1901(8) 0.5662(10) 0.1571(10) 0.0185(15) Uani 0.674(4) 1 d . U P A 1
N9 N 0.3103(6) 0.5519(8) 0.0974(6) 0.0228(16) Uani 0.674(4) 1 d . U P A 1
N10 N 0.2404(5) 0.5713(6) 0.4257(5) 0.0225(15) Uani 0.674(4) 1 d . U P A 1
N11 N 0.3100(11) 0.4697(16) 0.3625(14) 0.0209(15) Uani 0.674(4) 1 d . U P A 1
N12 N 0.3899(8) 0.3746(8) 0.3026(6) 0.0222(15) Uani 0.674(4) 1 d . U P A 1
C1 C 0.0582(8) 0.4339(8) 0.3947(8) 0.0266(19) Uani 0.674(4) 1 d . U P A 1
H1 H 0.049345 0.476566 0.431353 0.032 Uiso 0.674(4) 1 calc R U P A 1
C2 C 0.0207(7) 0.3570(7) 0.4014(7) 0.0277(19) Uani 0.674(4) 1 d . U P A 1
H2 H -0.017040 0.347917 0.438069 0.033 Uiso 0.674(4) 1 calc R U P A 1
C3 C 0.0403(10) 0.2940(10) 0.3524(8) 0.031(2) Uani 0.674(4) 1 d . U P A 1
H3 H 0.018876 0.238624 0.356468 0.037 Uiso 0.674(4) 1 calc R U P A 1
C4 C 0.0899(7) 0.3117(9) 0.2992(8) 0.0245(18) Uani 0.674(4) 1 d . U P A 1
H4 H 0.099717 0.268074 0.263843 0.029 Uiso 0.674(4) 1 calc R U P A 1
C5 C 0.1280(11) 0.3882(8) 0.2915(10) 0.0179(16) Uani 0.674(4) 1 d . U P A 1
C6 C 0.1877(6) 0.3704(9) 0.1742(8) 0.0190(17) Uani 0.674(4) 1 d . U P A 1
C7 C 0.1178(7) 0.3242(8) 0.1310(8) 0.0271(19) Uani 0.674(4) 1 d . U P A 1
H7 H 0.066120 0.321378 0.151115 0.033 Uiso 0.674(4) 1 calc R U P A 1
C8 C 0.1256(6) 0.2846(7) 0.0612(7) 0.0277(18) Uani 0.674(4) 1 d . U P A 1
H8 H 0.079917 0.253451 0.033967 0.033 Uiso 0.674(4) 1 calc R U P A 1
C9 C 0.2002(6) 0.2901(8) 0.0311(7) 0.0312(19) Uani 0.674(4) 1 d . U P A 1
H9 H 0.207669 0.262769 -0.016582 0.037 Uiso 0.674(4) 1 calc R U P A 1
C10 C 0.2633(6) 0.3374(7) 0.0735(7) 0.0261(18) Uani 0.674(4) 1 d . U P A 1
H10 H 0.313942 0.343696 0.051951 0.031 Uiso 0.674(4) 1 calc R U P A 1
C11 C 0.1511(5) 0.7642(6) 0.2895(6) 0.0263(18) Uani 0.674(4) 1 d . U P A 1
H11 H 0.094159 0.759282 0.297235 0.032 Uiso 0.674(4) 1 calc R U P A 1
C12 C 0.1796(6) 0.8415(7) 0.2710(6) 0.033(2) Uani 0.674(4) 1 d . U P A 1
H12 H 0.143213 0.888870 0.265949 0.040 Uiso 0.674(4) 1 calc R U P A 1
C13 C 0.2630(6) 0.8499(7) 0.2597(6) 0.0305(19) Uani 0.674(4) 1 d . U P A 1
H13 H 0.285393 0.903247 0.248883 0.037 Uiso 0.674(4) 1 calc R U P A 1
C14 C 0.3123(7) 0.7778(9) 0.2647(8) 0.0290(19) Uani 0.674(4) 1 d . U P A 1
H14 H 0.368810 0.781837 0.255498 0.035 Uiso 0.674(4) 1 calc R U P A 1
C15 C 0.2799(7) 0.6981(9) 0.2832(8) 0.0213(18) Uani 0.674(4) 1 d . U P A 1
C16 C 0.4072(8) 0.6137(7) 0.2884(6) 0.0189(17) Uani 0.674(4) 1 d . U P A 1
C17 C 0.4659(8) 0.6679(9) 0.3393(8) 0.028(2) Uani 0.674(4) 1 d . U P A 1
H17 H 0.445015 0.714715 0.364926 0.034 Uiso 0.674(4) 1 calc R U P A 1
C18 C 0.5499(7) 0.6522(7) 0.3504(6) 0.0298(19) Uani 0.674(4) 1 d . U P A 1
H18 H 0.587434 0.688337 0.382714 0.036 Uiso 0.674(4) 1 calc R U P A 1
C19 C 0.5802(7) 0.5832(6) 0.3144(6) 0.0318(19) Uani 0.674(4) 1 d . U P A 1
H19 H 0.638567 0.571042 0.321342 0.038 Uiso 0.674(4) 1 calc R U P A 1
C20 C 0.5229(7) 0.5325(7) 0.2680(6) 0.0298(19) Uani 0.674(4) 1 d . U P A 1
H20 H 0.543653 0.484326 0.244242 0.036 Uiso 0.674(4) 1 calc R U P A 1
C21 C -0.0077(9) 0.5677(10) 0.2202(6) 0.0292(19) Uani 0.674(4) 1 d . U P A 1
H21 H -0.028440 0.566515 0.269105 0.035 Uiso 0.674(4) 1 calc R U P A 1
C22 C -0.0643(7) 0.5604(7) 0.1530(5) 0.0309(19) Uani 0.674(4) 1 d . U P A 1
H22 H -0.122269 0.552523 0.155384 0.037 Uiso 0.674(4) 1 calc R U P A 1
C23 C -0.0353(7) 0.5648(8) 0.0813(6) 0.031(2) Uani 0.674(4) 1 d . U P A 1
H23 H -0.073616 0.563722 0.033563 0.037 Uiso 0.674(4) 1 calc R U P A 1
C24 C 0.0490(8) 0.5706(10) 0.0797(9) 0.028(2) Uani 0.674(4) 1 d . U P A 1
H24 H 0.068845 0.572547 0.030389 0.033 Uiso 0.674(4) 1 calc R U P A 1
C25 C 0.1049(9) 0.5737(11) 0.1469(10) 0.0196(17) Uani 0.674(4) 1 d . U P A 1
C26 C 0.2337(5) 0.5904(8) 0.0980(7) 0.0191(16) Uani 0.674(4) 1 d . U P A 1
C27 C 0.2090(6) 0.6500(9) 0.0393(8) 0.0285(19) Uani 0.674(4) 1 d . U P A 1
H27 H 0.156735 0.677967 0.038227 0.034 Uiso 0.674(4) 1 calc R U P A 1
C28 C 0.2577(5) 0.6692(7) -0.0165(6) 0.0305(19) Uani 0.674(4) 1 d . U P A 1
H28 H 0.238834 0.709626 -0.056054 0.037 Uiso 0.674(4) 1 calc R U P A 1
C29 C 0.3350(6) 0.6299(7) -0.0160(6) 0.035(2) Uani 0.674(4) 1 d . U P A 1
H29 H 0.369571 0.642246 -0.054645 0.042 Uiso 0.674(4) 1 calc R U P A 1
C30 C 0.3589(6) 0.5728(8) 0.0427(6) 0.030(2) Uani 0.674(4) 1 d . U P A 1
H30 H 0.412226 0.546592 0.045174 0.037 Uiso 0.674(4) 1 calc R U P A 1
C31 C 0.2376(6) 0.6245(6) 0.4864(6) 0.0298(19) Uani 0.674(4) 1 d . U P A 1
H31 H 0.189211 0.658866 0.485751 0.036 Uiso 0.674(4) 1 calc R U P A 1
C32 C 0.3009(6) 0.6318(6) 0.5491(6) 0.0347(19) Uani 0.674(4) 1 d . U P A 1
H32 H 0.296502 0.671216 0.589980 0.042 Uiso 0.674(4) 1 calc R U P A 1
C33 C 0.3714(6) 0.5811(7) 0.5522(6) 0.0329(19) Uani 0.674(4) 1 d . U P A 1
H33 H 0.416392 0.585456 0.594623 0.039 Uiso 0.674(4) 1 calc R U P A 1
C34 C 0.3745(6) 0.5244(8) 0.4923(7) 0.0300(19) Uani 0.674(4) 1 d . U P A 1
H34 H 0.421607 0.488044 0.494265 0.036 Uiso 0.674(4) 1 calc R U P A 1
C35 C 0.3076(6) 0.5190(9) 0.4263(8) 0.0215(17) Uani 0.674(4) 1 d . U P A 1
C36 C 0.3577(12) 0.3981(14) 0.3681(10) 0.0234(19) Uani 0.674(4) 1 d . U P A 1
C37 C 0.3706(6) 0.3445(9) 0.4335(8) 0.0285(19) Uani 0.674(4) 1 d . U P A 1
H37 H 0.344753 0.357432 0.478250 0.034 Uiso 0.674(4) 1 calc R U P A 1
C38 C 0.4187(6) 0.2747(7) 0.4346(6) 0.0296(19) Uani 0.674(4) 1 d . U P A 1
H38 H 0.428088 0.240470 0.480448 0.036 Uiso 0.674(4) 1 calc R U P A 1
C39 C 0.4550(7) 0.2527(7) 0.3681(5) 0.0330(19) Uani 0.674(4) 1 d . U P A 1
H39 H 0.490596 0.204969 0.367877 0.040 Uiso 0.674(4) 1 calc R U P A 1
C40 C 0.4364(7) 0.3033(7) 0.3039(5) 0.0288(19) Uani 0.674(4) 1 d . U P A 1
H40 H 0.457369 0.287711 0.257102 0.035 Uiso 0.674(4) 1 calc R U P A 1
N1' N 0.1168(17) 0.4613(17) 0.3485(16) 0.0181(15) Uani 0.326(4) 1 d . . P A 2
N2' N 0.187(2) 0.410(3) 0.247(2) 0.0202(16) Uani 0.326(4) 1 d . . P A 2
N3' N 0.2465(16) 0.3656(17) 0.1377(18) 0.0223(16) Uani 0.326(4) 1 d . . P A 2
N4' N 0.2126(14) 0.7066(14) 0.2956(16) 0.0210(16) Uani 0.326(4) 1 d . . P A 2
N5' N 0.331(2) 0.622(3) 0.282(2) 0.0211(16) Uani 0.326(4) 1 d . . P A 2
N6' N 0.4480(17) 0.5577(16) 0.2651(15) 0.0229(16) Uani 0.326(4) 1 d . . P A 2
N7' N 0.074(2) 0.577(2) 0.2085(16) 0.0227(15) Uani 0.326(4) 1 d . . P A 2
N8' N 0.2014(18) 0.572(2) 0.158(2) 0.0185(15) Uani 0.326(4) 1 d . . P A 2
N9' N 0.3254(14) 0.5474(16) 0.1088(14) 0.0228(16) Uani 0.326(4) 1 d . . P A 2
N10' N 0.2586(12) 0.5690(14) 0.4395(12) 0.0225(15) Uani 0.326(4) 1 d . . P A 2
N11' N 0.319(2) 0.471(3) 0.364(3) 0.0209(15) Uani 0.326(4) 1 d . . P A 2
N12' N 0.3831(17) 0.3785(18) 0.2877(13) 0.0222(15) Uani 0.326(4) 1 d . . P A 2
C1' C 0.0684(18) 0.4458(19) 0.4030(18) 0.0266(19) Uani 0.326(4) 1 d . . P A 2
H1' H 0.057814 0.490536 0.436923 0.032 Uiso 0.326(4) 1 calc R U P A 2
C2' C 0.0337(16) 0.3706(16) 0.4130(15) 0.0277(19) Uani 0.326(4) 1 d . . P A 2
H2' H -0.001274 0.363247 0.452319 0.033 Uiso 0.326(4) 1 calc R U P A 2
C3' C 0.050(2) 0.301(2) 0.3641(18) 0.031(2) Uani 0.326(4) 1 d . . P A 2
H3' H 0.022633 0.248996 0.369486 0.037 Uiso 0.326(4) 1 calc R U P A 2
C4' C 0.1062(16) 0.310(2) 0.3059(18) 0.0245(18) Uani 0.326(4) 1 d . . P A 2
H4' H 0.126039 0.264502 0.277780 0.029 Uiso 0.326(4) 1 calc R U P A 2
C5' C 0.129(2) 0.4009(19) 0.297(2) 0.0179(16) Uani 0.326(4) 1 d . . P A 2
C6' C 0.1720(15) 0.3673(19) 0.1669(17) 0.0190(17) Uani 0.326(4) 1 d . . P A 2
C7' C 0.1015(16) 0.3341(18) 0.1281(18) 0.0271(19) Uani 0.326(4) 1 d . . P A 2
H7' H 0.050253 0.339073 0.148760 0.033 Uiso 0.326(4) 1 calc R U P A 2
C8' C 0.1034(13) 0.2945(15) 0.0609(14) 0.0277(18) Uani 0.326(4) 1 d . . P A 2
H8' H 0.053740 0.269798 0.033668 0.033 Uiso 0.326(4) 1 calc R U P A 2
C9' C 0.1770(14) 0.2890(17) 0.0304(16) 0.0312(19) Uani 0.326(4) 1 d . . P A 2
H9' H 0.178518 0.258815 -0.017096 0.037 Uiso 0.326(4) 1 calc R U P A 2
C10' C 0.2451(14) 0.3250(15) 0.0661(15) 0.0261(18) Uani 0.326(4) 1 d . . P A 2
H10' H 0.294783 0.323172 0.042591 0.031 Uiso 0.326(4) 1 calc R U P A 2
C11' C 0.1721(13) 0.7818(13) 0.2890(13) 0.0263(18) Uani 0.326(4) 1 d . . P A 2
H11' H 0.115831 0.783475 0.299433 0.032 Uiso 0.326(4) 1 calc R U P A 2
C12' C 0.2067(14) 0.8537(14) 0.2688(13) 0.033(2) Uani 0.326(4) 1 d . . P A 2
H12' H 0.176046 0.905085 0.264739 0.040 Uiso 0.326(4) 1 calc R U P A 2
C13' C 0.2883(13) 0.8505(15) 0.2540(14) 0.0305(19) Uani 0.326(4) 1 d . . P A 2
H13' H 0.315457 0.900393 0.240433 0.037 Uiso 0.326(4) 1 calc R U P A 2
C14' C 0.3293(16) 0.777(2) 0.2587(18) 0.0290(19) Uani 0.326(4) 1 d . . P A 2
H14' H 0.385977 0.775573 0.249489 0.035 Uiso 0.326(4) 1 calc R U P A 2
C15' C 0.2926(17) 0.705(2) 0.2761(17) 0.0213(18) Uani 0.326(4) 1 d . . P A 2
C16' C 0.4137(17) 0.6246(16) 0.3011(15) 0.0189(17) Uani 0.326(4) 1 d . . P A 2
C17' C 0.4561(19) 0.6774(19) 0.3496(17) 0.028(2) Uani 0.326(4) 1 d . . P A 2
H17' H 0.428695 0.721749 0.372810 0.034 Uiso 0.326(4) 1 calc R U P A 2
C18' C 0.5400(14) 0.6674(15) 0.3663(13) 0.0298(19) Uani 0.326(4) 1 d . . P A 2
H18' H 0.572325 0.703941 0.402702 0.036 Uiso 0.326(4) 1 calc R U P A 2
C19' C 0.5771(14) 0.6063(14) 0.3315(13) 0.0318(19) Uani 0.326(4) 1 d . . P A 2
H19' H 0.636598 0.602604 0.340384 0.038 Uiso 0.326(4) 1 calc R U P A 2
C20' C 0.5327(15) 0.5492(15) 0.2838(14) 0.0298(19) Uani 0.326(4) 1 d . . P A 2
H20' H 0.560480 0.503262 0.263348 0.036 Uiso 0.326(4) 1 calc R U P A 2
C21' C -0.0117(19) 0.569(2) 0.2028(15) 0.0292(19) Uani 0.326(4) 1 d . . P A 2
H21' H -0.036504 0.563348 0.249271 0.035 Uiso 0.326(4) 1 calc R U P A 2
C22' C -0.0618(15) 0.5701(15) 0.1308(13) 0.0309(19) Uani 0.326(4) 1 d . . P A 2
H22' H -0.121227 0.568822 0.126677 0.037 Uiso 0.326(4) 1 calc R U P A 2
C23' C -0.0233(15) 0.5726(17) 0.0657(15) 0.031(2) Uani 0.326(4) 1 d . . P A 2
H23' H -0.056003 0.570933 0.014882 0.037 Uiso 0.326(4) 1 calc R U P A 2
C24' C 0.0611(19) 0.577(2) 0.0726(19) 0.028(2) Uani 0.326(4) 1 d . . P A 2
H24' H 0.086622 0.580542 0.026328 0.033 Uiso 0.326(4) 1 calc R U P A 2
C25' C 0.1166(19) 0.578(2) 0.153(2) 0.0196(17) Uani 0.326(4) 1 d . . P A 2
C26' C 0.2521(14) 0.5867(17) 0.1015(16) 0.0191(16) Uani 0.326(4) 1 d . . P A 2
C27' C 0.2280(15) 0.650(2) 0.0420(18) 0.0285(19) Uani 0.326(4) 1 d . . P A 2
H27' H 0.176725 0.680529 0.038699 0.034 Uiso 0.326(4) 1 calc R U P A 2
C28' C 0.2852(13) 0.6642(15) -0.0106(13) 0.0305(19) Uani 0.326(4) 1 d . . P A 2
H28' H 0.271881 0.702522 -0.053105 0.037 Uiso 0.326(4) 1 calc R U P A 2
C29' C 0.3584(14) 0.6235(15) -0.0007(14) 0.035(2) Uani 0.326(4) 1 d . . P A 2
H29' H 0.397824 0.633359 -0.035623 0.042 Uiso 0.326(4) 1 calc R U P A 2
C30' C 0.3762(15) 0.5684(17) 0.0593(14) 0.030(2) Uani 0.326(4) 1 d . . P A 2
H30' H 0.429978 0.542606 0.066081 0.037 Uiso 0.326(4) 1 calc R U P A 2
C31' C 0.2635(13) 0.6212(14) 0.5013(13) 0.0298(19) Uani 0.326(4) 1 d . . P A 2
H31' H 0.217572 0.657220 0.506656 0.036 Uiso 0.326(4) 1 calc R U P A 2
C32' C 0.3345(13) 0.6233(14) 0.5574(13) 0.0347(19) Uani 0.326(4) 1 d . . P A 2
H32' H 0.336733 0.658234 0.602547 0.042 Uiso 0.326(4) 1 calc R U P A 2
C33' C 0.4008(13) 0.5747(14) 0.5469(13) 0.0329(19) Uani 0.326(4) 1 d . . P A 2
H33' H 0.451054 0.577464 0.583624 0.039 Uiso 0.326(4) 1 calc R U P A 2
C34' C 0.3963(14) 0.5229(17) 0.4852(14) 0.0300(19) Uani 0.326(4) 1 d . . P A 2
H34' H 0.443072 0.488929 0.478086 0.036 Uiso 0.326(4) 1 calc R U P A 2
C35' C 0.3252(14) 0.5190(19) 0.4329(16) 0.0215(17) Uani 0.326(4) 1 d . . P A 2
C36' C 0.364(3) 0.397(3) 0.360(2) 0.0234(19) Uani 0.326(4) 1 d . . P A 2
C37' C 0.3883(15) 0.3458(19) 0.4270(16) 0.0285(19) Uani 0.326(4) 1 d . . P A 2
H37' H 0.371869 0.359404 0.476294 0.034 Uiso 0.326(4) 1 calc R U P A 2
C38' C 0.4378(13) 0.2732(15) 0.4181(13) 0.0296(19) Uani 0.326(4) 1 d . . P A 2
H38' H 0.457223 0.237248 0.461184 0.036 Uiso 0.326(4) 1 calc R U P A 2
C39' C 0.4560(15) 0.2578(16) 0.3437(13) 0.0330(19) Uani 0.326(4) 1 d . . P A 2
H39' H 0.489267 0.210046 0.335669 0.040 Uiso 0.326(4) 1 calc R U P A 2
C40' C 0.4286(15) 0.3077(16) 0.2817(13) 0.0288(19) Uani 0.326(4) 1 d . . P A 2
H40' H 0.441821 0.292457 0.231541 0.035 Uiso 0.326(4) 1 calc R U P A 2
O1 O 0.2361(3) 0.0663(2) 0.2472(2) 0.0370(9) Uani 1 1 d . . . . .
C41 C 0.1703(5) 0.0527(5) 0.1147(4) 0.0556(19) Uani 1 1 d . . . . .
H41A H 0.220501 0.027245 0.098689 0.083 Uiso 1 1 calc R U . . .
H41B H 0.139114 0.083339 0.070070 0.083 Uiso 1 1 calc R U . . .
H41C H 0.134633 0.008432 0.131682 0.083 Uiso 1 1 calc R U . . .
C42 C 0.1958(4) 0.1126(4) 0.1813(4) 0.0401(14) Uani 1 1 d . . . . .
H42A H 0.234563 0.155630 0.165606 0.048 Uiso 1 1 calc R U . . .
H42B H 0.145690 0.141785 0.195196 0.048 Uiso 1 1 calc R U . . .
C43 C 0.2720(4) 0.1196(4) 0.3096(4) 0.0427(15) Uani 1 1 d . . . . .
H43A H 0.227816 0.154376 0.327995 0.051 Uiso 1 1 calc R U . . .
H43B H 0.313556 0.157777 0.291113 0.051 Uiso 1 1 calc R U . . .
C44 C 0.3138(5) 0.0662(5) 0.3753(4) 0.0516(17) Uani 1 1 d . . . . .
H44A H 0.272315 0.028708 0.393365 0.077 Uiso 1 1 calc R U . . .
H44B H 0.338677 0.102361 0.418872 0.077 Uiso 1 1 calc R U . . .
H44C H 0.357918 0.032476 0.356826 0.077 Uiso 1 1 calc R U . . .
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'
Cl Cl 0.1484 0.1585 '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'
Cd Cd -0.8075 1.2024 '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'
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
N6 Cd1 N3 152.4(5) . . ?
N6 Cd1 N12 83.6(5) . . ?
N3 Cd1 N12 90.3(5) . . ?
N6 Cd1 N9 88.6(4) . . ?
N3 Cd1 N9 84.8(4) . . ?
N12 Cd1 N9 153.1(4) . . ?
N6 Cd1 Cl2 104.2(5) . . ?
N3 Cd1 Cl2 103.4(5) . . ?
N12 Cd1 Cl2 103.0(4) . . ?
N9 Cd1 Cl2 103.8(4) . . ?
N6 Cd1 Rh2 76.5(3) . . ?
N3 Cd1 Rh2 75.9(4) . . ?
N12 Cd1 Rh2 77.7(3) . . ?
N9 Cd1 Rh2 75.5(3) . . ?
Cl2 Cd1 Rh2 179.0(3) . . ?
N7 Rh1 N10 172.7(5) . . ?
N7 Rh1 N4 90.2(6) . . ?
N10 Rh1 N4 90.4(4) . . ?
N7 Rh1 N1 84.8(6) . . ?
N10 Rh1 N1 93.6(4) . . ?
N4 Rh1 N1 171.3(5) . . ?
N7 Rh1 Rh2 86.5(5) . . ?
N10 Rh1 Rh2 86.3(3) . . ?
N4 Rh1 Rh2 86.0(3) . . ?
N1 Rh1 Rh2 86.6(4) . . ?
N7 Rh1 Cl1 93.0(5) . . ?
N10 Rh1 Cl1 94.2(3) . . ?
N4 Rh1 Cl1 92.2(3) . . ?
N1 Rh1 Cl1 95.1(4) . . ?
Rh2 Rh1 Cl1 178.15(15) . . ?
N1' Cd1' N4' 151.0(10) . . ?
N1' Cd1' Cl1' 109.4(8) . . ?
N4' Cd1' Cl1' 99.5(7) . . ?
N1' Cd1' N10' 86.5(9) . . ?
N4' Cd1' N10' 89.4(8) . . ?
Cl1' Cd1' N10' 103.7(6) . . ?
N1' Cd1' N7' 83.2(11) . . ?
N4' Cd1' N7' 85.9(11) . . ?
Cl1' Cd1' N7' 107.0(9) . . ?
N10' Cd1' N7' 149.3(10) . . ?
N1' Cd1' Rh2 75.0(7) . . ?
N4' Cd1' Rh2 76.1(6) . . ?
Cl1' Cd1' Rh2 175.6(4) . . ?
N10' Cd1' Rh2 77.1(5) . . ?
N7' Cd1' Rh2 72.4(8) . . ?
N12' Rh1' N9' 174.2(11) . . ?
N12' Rh1' Rh2 88.1(8) . . ?
N9' Rh1' Rh2 87.6(7) . . ?
N12' Rh1' N3' 90.2(11) . . ?
N9' Rh1' N3' 93.3(10) . . ?
Rh2 Rh1' N3' 85.7(7) . . ?
N12' Rh1' N6' 87.7(10) . . ?
N9' Rh1' N6' 88.1(9) . . ?
Rh2 Rh1' N6' 85.2(7) . . ?
N3' Rh1' N6' 170.7(10) . . ?
N12' Rh1' Cl2' 93.4(10) . . ?
N9' Rh1' Cl2' 91.0(9) . . ?
Rh2 Rh1' Cl2' 178.5(7) . . ?
N3' Rh1' Cl2' 93.8(10) . . ?
N6' Rh1' Cl2' 95.3(9) . . ?
N11 Rh2 N5 91.6(8) . . ?
N8' Rh2 N2' 96.9(14) . . ?
N11 Rh2 N2 91.1(8) . . ?
N5 Rh2 N2 176.4(7) . . ?
N11 Rh2 N8 176.4(7) . . ?
N5 Rh2 N8 90.3(6) . . ?
N2 Rh2 N8 86.9(6) . . ?
N8' Rh2 N5' 89.3(14) . . ?
N2' Rh2 N5' 173.6(15) . . ?
N8' Rh2 N11' 173.8(15) . . ?
N2' Rh2 N11' 88.9(17) . . ?
N5' Rh2 N11' 84.8(17) . . ?
N8' Rh2 Rh1' 89.6(10) . . ?
N2' Rh2 Rh1' 90.3(11) . . ?
N5' Rh2 Rh1' 88.6(11) . . ?
N11' Rh2 Rh1' 88.2(13) . . ?
N11 Rh2 Rh1 88.8(6) . . ?
N5 Rh2 Rh1 88.7(5) . . ?
N2 Rh2 Rh1 88.9(5) . . ?
N8 Rh2 Rh1 88.1(4) . . ?
N11 Rh2 Cd1 90.6(6) . . ?
N5 Rh2 Cd1 91.2(5) . . ?
N2 Rh2 Cd1 91.2(5) . . ?
N8 Rh2 Cd1 92.5(4) . . ?
Rh1 Rh2 Cd1 179.38(5) . . ?
N8' Rh2 Cd1' 92.2(10) . . ?
N2' Rh2 Cd1' 92.3(11) . . ?
N5' Rh2 Cd1' 88.6(11) . . ?
N11' Rh2 Cd1' 89.6(13) . . ?
Rh1' Rh2 Cd1' 176.60(13) . . ?
C1 N1 C5 117.6(13) . . ?
C1 N1 Rh1 121.2(9) . . ?
C5 N1 Rh1 121.2(11) . . ?
C6 N2 C5 122.8(16) . . ?
C6 N2 Rh2 116.0(12) . . ?
C5 N2 Rh2 121.1(12) . . ?
C10 N3 C6 119.6(10) . . ?
C10 N3 Cd1 111.7(8) . . ?
C6 N3 Cd1 128.5(10) . . ?
C15 N4 C11 119.2(10) . . ?
C15 N4 Rh1 119.6(9) . . ?
C11 N4 Rh1 121.1(7) . . ?
C15 N5 C16 127.1(15) . . ?
C15 N5 Rh2 118.6(11) . . ?
C16 N5 Rh2 114.1(12) . . ?
C20 N6 C16 120.1(10) . . ?
C20 N6 Cd1 112.1(8) . . ?
C16 N6 Cd1 127.6(9) . . ?
C21 N7 C25 116.2(12) . . ?
C21 N7 Rh1 119.5(9) . . ?
C25 N7 Rh1 123.8(11) . . ?
C25 N8 C26 119.9(15) . . ?
C25 N8 Rh2 120.7(13) . . ?
C26 N8 Rh2 119.4(9) . . ?
C30 N9 C26 120.6(10) . . ?
C30 N9 Cd1 112.1(7) . . ?
C26 N9 Cd1 127.3(9) . . ?
C31 N10 C35 119.7(8) . . ?
C31 N10 Rh1 120.6(6) . . ?
C35 N10 Rh1 119.3(8) . . ?
C35 N11 C36 120.5(19) . . ?
C35 N11 Rh2 115.5(15) . . ?
C36 N11 Rh2 123.4(17) . . ?
C40 N12 C36 119.7(12) . . ?
C40 N12 Cd1 115.2(8) . . ?
C36 N12 Cd1 125.1(12) . . ?
N1 C1 C2 124.4(12) . . ?
C1 C2 C3 116.8(13) . . ?
C4 C3 C2 118.9(14) . . ?
C3 C4 C5 125.2(15) . . ?
C4 C5 N1 116.7(15) . . ?
C4 C5 N2 130.1(15) . . ?
N1 C5 N2 113.0(14) . . ?
N2 C6 N3 120.2(12) . . ?
N2 C6 C7 121.5(12) . . ?
N3 C6 C7 117.9(12) . . ?
C8 C7 C6 120.7(11) . . ?
C7 C8 C9 119.7(10) . . ?
C10 C9 C8 116.8(11) . . ?
N3 C10 C9 125.2(10) . . ?
C12 C11 N4 123.5(9) . . ?
C11 C12 C13 119.0(10) . . ?
C14 C13 C12 117.9(10) . . ?
C13 C14 C15 121.4(10) . . ?
N5 C15 N4 117.6(13) . . ?
N5 C15 C14 123.0(12) . . ?
N4 C15 C14 118.9(12) . . ?
N6 C16 N5 119.6(12) . . ?
N6 C16 C17 117.2(11) . . ?
N5 C16 C17 123.1(12) . . ?
C18 C17 C16 121.0(11) . . ?
C17 C18 C19 119.6(10) . . ?
C18 C19 C20 117.9(10) . . ?
N6 C20 C19 124.1(10) . . ?
N7 C21 C22 124.3(11) . . ?
C21 C22 C23 118.5(11) . . ?
C24 C23 C22 119.4(12) . . ?
C25 C24 C23 121.4(13) . . ?
C24 C25 N8 129.3(16) . . ?
C24 C25 N7 119.9(13) . . ?
N8 C25 N7 110.5(14) . . ?
N8 C26 N9 116.1(12) . . ?
N8 C26 C27 127.0(11) . . ?
N9 C26 C27 117.0(11) . . ?
C28 C27 C26 121.9(10) . . ?
C27 C28 C29 120.3(10) . . ?
C30 C29 C28 117.1(10) . . ?
N9 C30 C29 123.1(10) . . ?
N10 C31 C32 123.5(9) . . ?
C31 C32 C33 119.3(9) . . ?
C34 C33 C32 118.2(9) . . ?
C33 C34 C35 121.3(10) . . ?
N11 C35 N10 117.7(12) . . ?
N11 C35 C34 124.2(12) . . ?
N10 C35 C34 117.9(11) . . ?
N12 C36 N11 116.8(18) . . ?
N12 C36 C37 117.9(17) . . ?
N11 C36 C37 125.2(17) . . ?
C38 C37 C36 121.7(12) . . ?
C37 C38 C39 120.1(10) . . ?
C40 C39 C38 116.4(10) . . ?
N12 C40 C39 124.0(10) . . ?
C1' N1' C5' 120(3) . . ?
C1' N1' Cd1' 110(2) . . ?
C5' N1' Cd1' 128(2) . . ?
C5' N2' C6' 119(3) . . ?
C5' N2' Rh2 116(3) . . ?
C6' N2' Rh2 119(2) . . ?
C6' N3' C10' 116(2) . . ?
C6' N3' Rh1' 118(2) . . ?
C10' N3' Rh1' 124.4(19) . . ?
C11' N4' C15' 117(2) . . ?
C11' N4' Cd1' 116.7(16) . . ?
C15' N4' Cd1' 126.2(19) . . ?
C16' N5' C15' 113(3) . . ?
C16' N5' Rh2 129(3) . . ?
C15' N5' Rh2 118(2) . . ?
C20' N6' C16' 115(2) . . ?
C20' N6' Rh1' 126.0(18) . . ?
C16' N6' Rh1' 118.2(19) . . ?
C25' N7' C21' 127(3) . . ?
C25' N7' Cd1' 120(3) . . ?
C21' N7' Cd1' 112.7(19) . . ?
C25' N8' C26' 130(3) . . ?
C25' N8' Rh2 112(3) . . ?
C26' N8' Rh2 118(2) . . ?
C30' N9' C26' 117(2) . . ?
C30' N9' Rh1' 122.9(18) . . ?
C26' N9' Rh1' 120.1(19) . . ?
C31' N10' C35' 118(2) . . ?
C31' N10' Cd1' 113.9(15) . . ?
C35' N10' Cd1' 126.8(17) . . ?
C36' N11' C35' 123(4) . . ?
C36' N11' Rh2 117(3) . . ?
C35' N11' Rh2 120(3) . . ?
C36' N12' C40' 117(3) . . ?
C36' N12' Rh1' 122(3) . . ?
C40' N12' Rh1' 121.0(18) . . ?
N1' C1' C2' 124(3) . . ?
C1' C2' C3' 120(3) . . ?
C2' C3' C4' 121(3) . . ?
C3' C4' C5' 110(3) . . ?
N1' C5' N2' 121(3) . . ?
N1' C5' C4' 124(3) . . ?
N2' C5' C4' 112(3) . . ?
C7' C6' N3' 122(3) . . ?
C7' C6' N2' 129(3) . . ?
N3' C6' N2' 108(2) . . ?
C8' C7' C6' 120(3) . . ?
C7' C8' C9' 120(2) . . ?
C10' C9' C8' 120(3) . . ?
C9' C10' N3' 121(2) . . ?
C12' C11' N4' 124(2) . . ?
C11' C12' C13' 118(2) . . ?
C14' C13' C12' 120(2) . . ?
C13' C14' C15' 122(2) . . ?
C14' C15' N4' 120(3) . . ?
C14' C15' N5' 126(3) . . ?
N4' C15' N5' 114(3) . . ?
C17' C16' N5' 126(3) . . ?
C17' C16' N6' 125(3) . . ?
N5' C16' N6' 109(3) . . ?
C16' C17' C18' 118(3) . . ?
C19' C18' C17' 120(2) . . ?
C18' C19' C20' 122(2) . . ?
C19' C20' N6' 120(2) . . ?
C22' C21' N7' 121(3) . . ?
C23' C22' C21' 118(2) . . ?
C24' C23' C22' 121(3) . . ?
C23' C24' C25' 122(3) . . ?
N7' C25' N8' 128(3) . . ?
N7' C25' C24' 112(3) . . ?
N8' C25' C24' 120(3) . . ?
N9' C26' N8' 118(3) . . ?
N9' C26' C27' 122(2) . . ?
N8' C26' C27' 119(2) . . ?
C28' C27' C26' 116(2) . . ?
C29' C28' C27' 120(2) . . ?
C28' C29' C30' 120(2) . . ?
N9' C30' C29' 125(2) . . ?
N10' C31' C32' 121(2) . . ?
C33' C32' C31' 119(2) . . ?
C34' C33' C32' 120(2) . . ?
C33' C34' C35' 120(2) . . ?
C34' C35' N10' 122(3) . . ?
C34' C35' N11' 122(3) . . ?
N10' C35' N11' 116(3) . . ?
N12' C36' N11' 116(4) . . ?
N12' C36' C37' 123(4) . . ?
N11' C36' C37' 121(4) . . ?
C38' C37' C36' 118(3) . . ?
C39' C38' C37' 116(2) . . ?
C40' C39' C38' 123(2) . . ?
C39' C40' N12' 123(2) . . ?
C43 O1 C42 112.3(5) . . ?
O1 C42 C41 108.7(5) . . ?
O1 C43 C44 108.7(5) . . ?
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
Cd1 N6 2.173(10) . ?
Cd1 N3 2.190(11) . ?
Cd1 N12 2.330(10) . ?
Cd1 N9 2.341(10) . ?
Cd1 Cl2 2.429(5) . ?
Cd1 Rh2 2.7005(17) . ?
Rh1 N7 2.016(13) . ?
Rh1 N10 2.062(8) . ?
Rh1 N4 2.068(9) . ?
Rh1 N1 2.137(13) . ?
Rh1 Rh2 2.3463(19) . ?
Rh1 Cl1 2.516(5) . ?
Cd1' N1' 2.14(3) . ?
Cd1' N4' 2.34(2) . ?
Cd1' Cl1' 2.353(12) . ?
Cd1' N10' 2.354(19) . ?
Cd1' N7' 2.41(3) . ?
Cd1' Rh2 2.745(3) . ?
Rh1' N12' 2.04(3) . ?
Rh1' N9' 2.04(2) . ?
Rh1' Rh2 2.308(3) . ?
Rh1' N3' 2.37(3) . ?
Rh1' N6' 2.38(3) . ?
Rh1' Cl2' 2.534(16) . ?
Rh2 N8' 2.01(4) . ?
Rh2 N11 2.02(2) . ?
Rh2 N5 2.020(19) . ?
Rh2 N2' 2.02(4) . ?
Rh2 N2 2.043(19) . ?
Rh2 N8 2.045(16) . ?
Rh2 N5' 2.06(4) . ?
Rh2 N11' 2.09(5) . ?
N1 C1 1.37(2) . ?
N1 C5 1.383(19) . ?
N2 C6 1.32(2) . ?
N2 C5 1.38(3) . ?
N3 C10 1.343(18) . ?
N3 C6 1.343(17) . ?
N4 C15 1.349(15) . ?
N4 C11 1.368(14) . ?
N5 C15 1.34(2) . ?
N5 C16 1.39(2) . ?
N6 C20 1.343(17) . ?
N6 C16 1.354(17) . ?
N7 C21 1.34(2) . ?
N7 C25 1.43(2) . ?
N8 C25 1.364(18) . ?
N8 C26 1.37(2) . ?
N9 C30 1.352(16) . ?
N9 C26 1.378(13) . ?
N10 C31 1.347(14) . ?
N10 C35 1.363(14) . ?
N11 C35 1.35(3) . ?
N11 C36 1.37(3) . ?
N12 C40 1.355(17) . ?
N12 C36 1.36(2) . ?
C1 C2 1.373(17) . ?
C2 C3 1.375(19) . ?
C3 C4 1.33(2) . ?
C4 C5 1.38(2) . ?
C6 C7 1.450(16) . ?
C7 C8 1.376(18) . ?
C8 C9 1.381(13) . ?
C9 C10 1.381(14) . ?
C11 C12 1.364(13) . ?
C12 C13 1.392(12) . ?
C13 C14 1.387(17) . ?
C14 C15 1.422(19) . ?
C16 C17 1.467(17) . ?
C17 C18 1.362(17) . ?
C18 C19 1.381(13) . ?
C19 C20 1.385(13) . ?
C21 C22 1.365(16) . ?
C22 C23 1.383(13) . ?
C23 C24 1.365(17) . ?
C24 C25 1.35(2) . ?
C26 C27 1.397(19) . ?
C27 C28 1.361(16) . ?
C28 C29 1.391(13) . ?
C29 C30 1.367(15) . ?
C31 C32 1.374(12) . ?
C32 C33 1.387(13) . ?
C33 C34 1.373(15) . ?
C34 C35 1.446(15) . ?
C36 C37 1.40(2) . ?
C37 C38 1.350(16) . ?
C38 C39 1.404(13) . ?
C39 C40 1.361(13) . ?
N1' C1' 1.33(4) . ?
N1' C5' 1.34(4) . ?
N2' C5' 1.37(5) . ?
N2' C6' 1.52(5) . ?
N3' C6' 1.37(4) . ?
N3' C10' 1.39(4) . ?
N4' C11' 1.36(3) . ?
N4' C15' 1.38(3) . ?
N5' C16' 1.33(4) . ?
N5' C15' 1.45(5) . ?
N6' C20' 1.36(4) . ?
N6' C16' 1.38(4) . ?
N7' C25' 1.26(5) . ?
N7' C21' 1.37(5) . ?
N8' C25' 1.36(4) . ?
N8' C26' 1.38(4) . ?
N9' C30' 1.31(3) . ?
N9' C26' 1.32(3) . ?
N10' C31' 1.34(3) . ?
N10' C35' 1.35(3) . ?
N11' C36' 1.38(7) . ?
N11' C35' 1.40(6) . ?
N12' C36' 1.35(5) . ?
N12' C40' 1.35(4) . ?
C1' C2' 1.34(4) . ?
C2' C3' 1.43(4) . ?
C3' C4' 1.46(4) . ?
C4' C5' 1.50(4) . ?
C6' C7' 1.34(4) . ?
C7' C8' 1.32(4) . ?
C8' C9' 1.37(3) . ?
C9' C10' 1.31(3) . ?
C11' C12' 1.34(3) . ?
C12' C13' 1.38(3) . ?
C13' C14' 1.34(4) . ?
C14' C15' 1.34(4) . ?
C16' C17' 1.30(4) . ?
C17' C18' 1.35(4) . ?
C18' C19' 1.33(3) . ?
C19' C20' 1.35(3) . ?
C21' C22' 1.37(3) . ?
C22' C23' 1.36(3) . ?
C23' C24' 1.35(4) . ?
C24' C25' 1.53(5) . ?
C26' C27' 1.45(4) . ?
C27' C28' 1.40(4) . ?
C28' C29' 1.33(3) . ?
C29' C30' 1.35(3) . ?
C31' C32' 1.38(3) . ?
C32' C33' 1.35(3) . ?
C33' C34' 1.33(3) . ?
C34' C35' 1.35(3) . ?
C36' C37' 1.42(5) . ?
C37' C38' 1.42(4) . ?
C38' C39' 1.38(3) . ?
C39' C40' 1.35(3) . ?
O1 C43 1.420(7) . ?
O1 C42 1.423(7) . ?
C41 C42 1.497(9) . ?
C43 C44 1.488(9) . ?
