#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:42:34 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179343 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/40/4324074.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_4324074
loop_
_publ_author_name
'David W. Shaffer'
'Scott A. Ryken'
'Ryan A. Zarkesh'
'Alan F. Heyduk'
_publ_section_title
;
 Redox Behavior of Rhodium 9,10-Phenanthrenediimine Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              13
_journal_page_last               21
_journal_paper_doi               10.1021/ic1007632
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C67 H99 K N4 O9 Rh'
_chemical_formula_weight         1246.51
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 105.2230(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.5891(7)
_cell_length_b                   24.1291(13)
_cell_length_c                   22.6328(12)
_cell_measurement_reflns_used    9228
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.14
_cell_measurement_theta_min      2.28
_cell_volume                     6633.8(6)
_computing_cell_refinement       'Bruker SMART/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-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.954
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega scans'
_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  0.0494
_diffrn_reflns_av_sigmaI/netI    0.0446
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            76342
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         1.26
_diffrn_standards_decay_%        '< 1.0'
_diffrn_standards_interval_count 'initial 50 frames recollected'
_diffrn_standards_number         '50 frames'
_exptl_absorpt_coefficient_mu    0.376
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6668
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.248
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2660
_exptl_crystal_size_max          0.278
_exptl_crystal_size_mid          0.197
_exptl_crystal_size_min          0.081
_refine_diff_density_max         0.551
_refine_diff_density_min         -0.411
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.997
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     833
_refine_ls_number_reflns         15768
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.997
_refine_ls_R_factor_all          0.0615
_refine_ls_R_factor_gt           0.0376
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0373P)²+3.3311P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0785
_refine_ls_wR_factor_ref         0.0874
_reflns_number_gt                11895
_reflns_number_total             15768
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1007632_si_002_2.cif
_cod_data_source_block           afh197
_cod_database_code               4324074
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.082596(12) 0.032271(6) 0.764500(7) 0.01858(5) Uani 1 1 d . . .
K1 K 0.38193(4) -0.244997(18) 0.62776(2) 0.02605(10) Uani 1 1 d . . .
N1 N -0.05419(13) 0.06474(7) 0.70850(7) 0.0193(3) Uani 1 1 d . . .
N2 N 0.00059(13) 0.01872(7) 0.82835(7) 0.0194(3) Uani 1 1 d . . .
N3 N 0.17739(14) 0.04086(7) 0.70732(8) 0.0216(4) Uani 1 1 d . . .
N4 N 0.22451(14) 0.00005(8) 0.81163(8) 0.0227(4) Uani 1 1 d . . .
O1 O 0.48990(15) -0.33796(7) 0.68794(9) 0.0498(5) Uani 1 1 d . A .
O2 O 0.41163(16) -0.25630(8) 0.75470(8) 0.0519(5) Uani 1 1 d . A .
O3 O 0.33911(14) -0.15540(7) 0.69504(8) 0.0403(4) Uani 1 1 d . A .
O4 O 0.28065(13) -0.14993(6) 0.56722(8) 0.0362(4) Uani 1 1 d . A .
O5 O 0.36464(14) -0.23331(7) 0.50441(7) 0.0380(4) Uani 1 1 d . A .
O6 O 0.41026(14) -0.33965(7) 0.56099(9) 0.0434(4) Uani 1 1 d . A .
O7 O 0.17324(14) -0.28214(8) 0.58266(9) 0.0503(5) Uani 1 1 d . A .
O9 O 0.57300(15) -0.24612(8) 0.43502(9) 0.0479(5) Uani 1 1 d . . .
C1 C -0.15221(16) 0.07158(8) 0.71954(9) 0.0215(4) Uani 1 1 d . . .
C2 C -0.17516(17) 0.05546(9) 0.77402(9) 0.0215(4) Uani 1 1 d . . .
C3 C -0.10393(16) 0.03062(8) 0.82527(8) 0.0200(4) Uani 1 1 d . . .
C4 C -0.14906(17) 0.01697(9) 0.87923(9) 0.0248(4) Uani 1 1 d . . .
H4B H -0.1063 0.0357 0.9150 0.037 Uiso 1 1 calc R . .
H4C H -0.1452 -0.0223 0.8862 0.037 Uiso 1 1 calc R . .
H4D H -0.2243 0.0289 0.8707 0.037 Uiso 1 1 calc R . .
C5 C -0.24459(17) 0.09850(9) 0.67142(9) 0.0280(5) Uani 1 1 d . . .
H5A H -0.2551 0.0790 0.6334 0.042 Uiso 1 1 calc R . .
H5B H -0.2260 0.1364 0.6660 0.042 Uiso 1 1 calc R . .
H5C H -0.3113 0.0972 0.6844 0.042 Uiso 1 1 calc R . .
C6 C -0.04236(16) 0.08084(8) 0.64955(9) 0.0199(4) Uani 1 1 d . . .
C7 C 0.00320(17) 0.13265(8) 0.64260(9) 0.0248(4) Uani 1 1 d . . .
C8 C 0.01743(19) 0.14637(10) 0.58546(10) 0.0301(5) Uani 1 1 d . . .
C9 C -0.00962(19) 0.11003(10) 0.53687(10) 0.0308(5) Uani 1 1 d . . .
C10 C -0.05246(18) 0.05865(9) 0.54484(10) 0.0265(5) Uani 1 1 d . . .
C11 C -0.07063(16) 0.04308(8) 0.60057(9) 0.0219(4) Uani 1 1 d . . .
C12 C -0.11575(18) -0.01400(9) 0.60883(10) 0.0263(5) Uani 1 1 d . . .
C13 C -0.20823(19) -0.03204(10) 0.55333(11) 0.0371(5) Uani 1 1 d . . .
H13A H -0.2634 -0.0036 0.5435 0.056 Uiso 1 1 calc R . .
H13B H -0.2407 -0.0658 0.5628 0.056 Uiso 1 1 calc R . .
H13C H -0.1785 -0.0381 0.5189 0.056 Uiso 1 1 calc R . .
C14 C -0.0228(2) -0.05683(9) 0.62321(11) 0.0339(5) Uani 1 1 d . . .
H14A H 0.0306 -0.0466 0.6603 0.051 Uiso 1 1 calc R . .
H14B H 0.0118 -0.0581 0.5901 0.051 Uiso 1 1 calc R . .
H14C H -0.0525 -0.0926 0.6282 0.051 Uiso 1 1 calc R . .
C15 C 0.0376(2) 0.17273(9) 0.69554(11) 0.0377(6) Uani 1 1 d . . .
H15A H 0.0323 0.1531 0.7326 0.045 Uiso 1 1 calc R . .
C16 C -0.0398(2) 0.22232(10) 0.68737(14) 0.0512(7) Uani 1 1 d . . .
H16A H -0.1131 0.2097 0.6853 0.077 Uiso 1 1 calc R . .
H16B H -0.0396 0.2414 0.6502 0.077 Uiso 1 1 calc R . .
H16C H -0.0157 0.2471 0.7215 0.077 Uiso 1 1 calc R . .
C17 C 0.1569(2) 0.19145(12) 0.70568(14) 0.0599(8) Uani 1 1 d . . .
H17A H 0.2040 0.1596 0.7109 0.090 Uiso 1 1 calc R . .
H17B H 0.1776 0.2142 0.7417 0.090 Uiso 1 1 calc R . .
H17C H 0.1641 0.2124 0.6709 0.090 Uiso 1 1 calc R . .
C18 C 0.06351(16) -0.01007(8) 0.88155(9) 0.0206(4) Uani 1 1 d . . .
C19 C 0.12953(16) 0.01978(8) 0.93072(9) 0.0217(4) Uani 1 1 d . . .
C20 C 0.19975(18) -0.00957(10) 0.97849(10) 0.0268(5) Uani 1 1 d . . .
C21 C 0.20225(19) -0.06677(10) 0.97861(10) 0.0308(5) Uani 1 1 d . . .
C22 C 0.13413(19) -0.09562(10) 0.93083(10) 0.0300(5) Uani 1 1 d . . .
C23 C 0.06392(17) -0.06808(9) 0.88167(10) 0.0256(4) Uani 1 1 d . . .
C24 C -0.0068(2) -0.10101(9) 0.82845(11) 0.0334(5) Uani 1 1 d . . .
H24A H -0.0567 -0.0749 0.8016 0.040 Uiso 1 1 calc R . .
C25 C 0.0647(2) -0.12746(10) 0.79118(11) 0.0414(6) Uani 1 1 d . . .
H25A H 0.1051 -0.0991 0.7767 0.062 Uiso 1 1 calc R . .
H25B H 0.0187 -0.1469 0.7569 0.062 Uiso 1 1 calc R . .
H25C H 0.1153 -0.1530 0.8165 0.062 Uiso 1 1 calc R . .
C26 C -0.0778(2) -0.14437(10) 0.85000(13) 0.0431(6) Uani 1 1 d . . .
H26A H -0.1243 -0.1262 0.8715 0.065 Uiso 1 1 calc R . .
H26B H -0.0310 -0.1704 0.8768 0.065 Uiso 1 1 calc R . .
H26C H -0.1226 -0.1636 0.8152 0.065 Uiso 1 1 calc R . .
C27 C 0.12687(17) 0.08272(9) 0.93210(9) 0.0251(4) Uani 1 1 d . . .
C28 C 0.2310(2) 0.10750(10) 0.92051(11) 0.0370(6) Uani 1 1 d . . .
H28A H 0.2391 0.0948 0.8817 0.055 Uiso 1 1 calc R . .
H28B H 0.2938 0.0961 0.9524 0.055 Uiso 1 1 calc R . .
H28C H 0.2258 0.1472 0.9201 0.055 Uiso 1 1 calc R . .
C29 C 0.10864(19) 0.10435(10) 0.99228(10) 0.0325(5) Uani 1 1 d . . .
H29A H 0.0437 0.0876 0.9991 0.049 Uiso 1 1 calc R . .
H29B H 0.0997 0.1439 0.9900 0.049 Uiso 1 1 calc R . .
H29C H 0.1711 0.0951 1.0255 0.049 Uiso 1 1 calc R . .
C30 C 0.28118(16) 0.02105(8) 0.72531(9) 0.0188(4) Uani 1 1 d . . .
C31 C 0.36047(16) 0.02074(8) 0.68979(9) 0.0193(4) Uani 1 1 d . . .
C32 C 0.33524(18) 0.04354(8) 0.62987(9) 0.0240(4) Uani 1 1 d . . .
C33 C 0.40935(18) 0.04156(9) 0.59500(10) 0.0271(5) Uani 1 1 d . . .
C34 C 0.51246(18) 0.01744(10) 0.61839(10) 0.0302(5) Uani 1 1 d . . .
C35 C 0.54016(18) -0.00411(9) 0.67669(10) 0.0270(5) Uani 1 1 d . . .
C36 C 0.46603(16) -0.00376(8) 0.71389(9) 0.0208(4) Uani 1 1 d . . .
C37 C 0.49297(16) -0.02817(8) 0.77490(9) 0.0215(4) Uani 1 1 d . . .
C38 C 0.59486(17) -0.05414(9) 0.80095(10) 0.0278(5) Uani 1 1 d . . .
C39 C 0.61837(18) -0.07794(10) 0.85794(11) 0.0319(5) Uani 1 1 d . . .
C40 C 0.54172(18) -0.07604(10) 0.89246(11) 0.0311(5) Uani 1 1 d . . .
C41 C 0.44167(18) -0.05095(9) 0.86901(10) 0.0261(5) Uani 1 1 d . . .
C42 C 0.41401(16) -0.02689(8) 0.80976(9) 0.0207(4) Uani 1 1 d . . .
C43 C 0.30788(16) -0.00224(8) 0.78449(9) 0.0197(4) Uani 1 1 d . . .
C44 C 0.4846(3) -0.34591(14) 0.74877(16) 0.0732(10) Uani 1 1 d . . .
H44A H 0.5410 -0.3720 0.7693 0.088 Uiso 1 1 calc R A .
H44B H 0.4134 -0.3610 0.7491 0.088 Uiso 1 1 calc R . .
C45 C 0.5015(3) -0.29212(15) 0.78114(15) 0.0758(11) Uani 1 1 d . A .
H45A H 0.5064 -0.2977 0.8242 0.091 Uiso 1 1 calc R . .
H45B H 0.5699 -0.2755 0.7778 0.091 Uiso 1 1 calc R . .
C46 C 0.4192(3) -0.20482(14) 0.78596(13) 0.0648(9) Uani 1 1 d . . .
H46A H 0.4883 -0.1868 0.7865 0.078 Uiso 1 1 calc R A .
H46B H 0.4168 -0.2109 0.8280 0.078 Uiso 1 1 calc R . .
C47 C 0.3259(3) -0.16952(13) 0.75398(13) 0.0576(8) Uani 1 1 d . A .
H47A H 0.2571 -0.1893 0.7496 0.069 Uiso 1 1 calc R . .
H47B H 0.3240 -0.1361 0.7775 0.069 Uiso 1 1 calc R . .
C48 C 0.2573(2) -0.11872(10) 0.66216(14) 0.0459(7) Uani 1 1 d . . .
H48A H 0.2535 -0.0863 0.6868 0.055 Uiso 1 1 calc R A .
H48B H 0.1860 -0.1368 0.6523 0.055 Uiso 1 1 calc R . .
C49 C 0.2859(2) -0.10204(9) 0.60496(13) 0.0433(7) Uani 1 1 d . A .
H49A H 0.2346 -0.0741 0.5835 0.052 Uiso 1 1 calc R . .
H49B H 0.3595 -0.0864 0.6147 0.052 Uiso 1 1 calc R . .
C50 C 0.3151(2) -0.13941(11) 0.51368(13) 0.0488(7) Uani 1 1 d . . .
H50A H 0.3928 -0.1303 0.5245 0.059 Uiso 1 1 calc R A .
H50B H 0.2745 -0.1083 0.4917 0.059 Uiso 1 1 calc R . .
C51 C 0.2948(2) -0.18956(13) 0.47455(12) 0.0532(7) Uani 1 1 d . A .
H51A H 0.2183 -0.2007 0.4670 0.064 Uiso 1 1 calc R . .
H51B H 0.3094 -0.1816 0.4354 0.064 Uiso 1 1 calc R . .
C52 C 0.3398(3) -0.28424(13) 0.47246(13) 0.0561(8) Uani 1 1 d . . .
H52A H 0.3409 -0.2792 0.4301 0.067 Uiso 1 1 calc R A .
H52B H 0.2667 -0.2965 0.4731 0.067 Uiso 1 1 calc R . .
C53 C 0.4221(3) -0.32663(12) 0.50172(15) 0.0612(9) Uani 1 1 d . A .
H53A H 0.4117 -0.3598 0.4767 0.073 Uiso 1 1 calc R . .
H53B H 0.4957 -0.3127 0.5051 0.073 Uiso 1 1 calc R . .
C54 C 0.4934(2) -0.37680(11) 0.59314(17) 0.0634(10) Uani 1 1 d . . .
H54A H 0.5654 -0.3606 0.5972 0.076 Uiso 1 1 calc R A .
H54B H 0.4893 -0.4111 0.5704 0.076 Uiso 1 1 calc R . .
C55 C 0.4780(2) -0.38828(11) 0.65455(17) 0.0611(9) Uani 1 1 d . A .
H55A H 0.4054 -0.4037 0.6508 0.073 Uiso 1 1 calc R . .
H55B H 0.5324 -0.4149 0.6758 0.073 Uiso 1 1 calc R . .
C56 C 0.0751(2) -0.25124(12) 0.57126(15) 0.0548(8) Uani 1 1 d . . .
H56A H 0.0232 -0.2639 0.5340 0.066 Uiso 1 1 calc R A .
H56B H 0.0899 -0.2122 0.5669 0.066 Uiso 1 1 calc R . .
C57 C 0.0287(3) -0.26059(14) 0.62687(18) 0.0691(10) Uani 1 1 d . A .
H57A H 0.0344 -0.2272 0.6514 0.083 Uiso 1 1 calc R . .
H57B H -0.0477 -0.2721 0.6142 0.083 Uiso 1 1 calc R . .
C58 C 0.1015(3) -0.30650(13) 0.66217(14) 0.0582(8) Uani 1 1 d . . .
H58A H 0.1545 -0.2918 0.6979 0.070 Uiso 1 1 calc R A .
H58B H 0.0578 -0.3348 0.6751 0.070 Uiso 1 1 calc R . .
C59 C 0.1573(2) -0.32893(11) 0.61735(14) 0.0489(7) Uani 1 1 d . A .
H59A H 0.2272 -0.3457 0.6380 0.059 Uiso 1 1 calc R . .
H59B H 0.1117 -0.3565 0.5913 0.059 Uiso 1 1 calc R . .
O8A O 0.5880(6) -0.2061(3) 0.6612(3) 0.0533(16) Uani 0.50 1 d P A 1
O8B O 0.5785(5) -0.1975(3) 0.6312(2) 0.0453(14) Uani 0.50 1 d P A 2
C60 C 0.6748(2) -0.22824(11) 0.63810(13) 0.0462(6) Uani 1 1 d . . .
H60A H 0.6500 -0.2332 0.5941 0.055 Uiso 1 1 calc R A 1
H60B H 0.6989 -0.2638 0.6569 0.055 Uiso 1 1 calc R A 1
C61 C 0.7676(2) -0.18634(12) 0.65428(15) 0.0548(8) Uani 1 1 d . A .
H61A H 0.8298 -0.2009 0.6853 0.066 Uiso 1 1 calc R . .
H61B H 0.7917 -0.1761 0.6184 0.066 Uiso 1 1 calc R . .
C62 C 0.7167(2) -0.13734(14) 0.67848(18) 0.0677(10) Uani 1 1 d . . .
H62A H 0.7294 -0.1397 0.7226 0.081 Uiso 1 1 calc R A 1
H62B H 0.7470 -0.1028 0.6684 0.081 Uiso 1 1 calc R A 1
C63A C 0.6041(4) -0.1411(2) 0.6492(3) 0.0408(12) Uani 0.50 1 d P A 1
H63A H 0.5883 -0.1324 0.6059 0.049 Uiso 0.50 1 calc PR A 1
H63B H 0.5600 -0.1177 0.6684 0.049 Uiso 0.50 1 calc PR A 1
C63B C 0.6250(5) -0.1584(3) 0.6950(3) 0.0547(16) Uani 0.50 1 d P A 2
H63C H 0.5733 -0.1297 0.6989 0.066 Uiso 0.50 1 calc PR A 2
H63D H 0.6452 -0.1805 0.7321 0.066 Uiso 0.50 1 calc PR A 2
C64 C 0.6001(2) -0.19137(11) 0.45722(13) 0.0466(7) Uani 1 1 d . . .
H64A H 0.5893 -0.1873 0.4979 0.056 Uiso 1 1 calc R . .
H64B H 0.5542 -0.1645 0.4302 0.056 Uiso 1 1 calc R . .
C65 C 0.7189(2) -0.18288(12) 0.45892(16) 0.0582(8) Uani 1 1 d . . .
H65A H 0.7550 -0.1587 0.4924 0.070 Uiso 1 1 calc R . .
H65B H 0.7266 -0.1674 0.4207 0.070 Uiso 1 1 calc R . .
C66 C 0.7644(2) -0.24079(12) 0.46860(14) 0.0544(7) Uiso 1 1 d . . .
H66A H 0.8276 -0.2450 0.4520 0.065 Uiso 1 1 calc R . .
H66B H 0.7856 -0.2504 0.5117 0.065 Uiso 1 1 calc R . .
C67 C 0.6701(2) -0.27527(12) 0.43432(13) 0.0495(7) Uiso 1 1 d . . .
H67A H 0.6741 -0.2809 0.3925 0.059 Uiso 1 1 calc R . .
H67B H 0.6712 -0.3112 0.4538 0.059 Uiso 1 1 calc R . .
H2A H -0.2424(18) 0.0620(9) 0.7769(10) 0.021(6) Uiso 1 1 d . . .
H3A H 0.1610(19) 0.0540(9) 0.6750(11) 0.025(6) Uiso 1 1 d . . .
H12A H -0.1456(18) -0.0129(9) 0.6415(10) 0.024(6) Uiso 1 1 d . . .
H27A H 0.0660(16) 0.0950(8) 0.8989(9) 0.014(5) Uiso 1 1 d . . .
H33A H 0.3908(18) 0.0567(9) 0.5548(11) 0.028(6) Uiso 1 1 d . . .
H35A H 0.6097(18) -0.0183(8) 0.6917(9) 0.018(5) Uiso 1 1 d . . .
H38A H 0.6482(18) -0.0558(9) 0.7786(10) 0.022(6) Uiso 1 1 d . . .
H32A H 0.2661(18) 0.0601(9) 0.6132(10) 0.022(6) Uiso 1 1 d . . .
H20A H 0.2440(18) 0.0103(9) 1.0085(10) 0.020(5) Uiso 1 1 d . . .
H39A H 0.6858(19) -0.0950(9) 0.8731(10) 0.028(6) Uiso 1 1 d . . .
H41A H 0.3917(19) -0.0498(9) 0.8933(11) 0.032(6) Uiso 1 1 d . . .
H10A H -0.0692(18) 0.0335(9) 0.5117(11) 0.026(6) Uiso 1 1 d . . .
H4A H 0.2370(19) -0.0130(10) 0.8448(11) 0.031(7) Uiso 1 1 d . . .
H40A H 0.5588(19) -0.0909(10) 0.9329(11) 0.034(6) Uiso 1 1 d . . .
H8A H 0.0461(19) 0.1805(10) 0.5806(11) 0.034(7) Uiso 1 1 d . . .
H34A H 0.5633(19) 0.0157(9) 0.5941(10) 0.028(6) Uiso 1 1 d . . .
H21A H 0.2483(19) -0.0854(10) 1.0098(11) 0.032(6) Uiso 1 1 d . . .
H22A H 0.1334(19) -0.1328(11) 0.9310(10) 0.034(7) Uiso 1 1 d . . .
H9A H 0.004(2) 0.1191(10) 0.5018(11) 0.038(7) Uiso 1 1 d . . .
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'
K K 0.2009 0.2494 '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
N4 Rh1 N3 77.35(7) . . ?
N4 Rh1 N1 173.54(7) . . ?
N3 Rh1 N1 96.33(7) . . ?
N4 Rh1 N2 96.30(7) . . ?
N3 Rh1 N2 173.60(7) . . ?
N1 Rh1 N2 90.00(6) . . ?
O8A K1 O7 174.49(13) . . ?
O8A K1 O8B 14.69(13) . . ?
O7 K1 O8B 159.84(11) . . ?
O8A K1 O5 93.63(12) . . ?
O7 K1 O5 80.87(6) . . ?
O8B K1 O5 79.31(11) . . ?
O8A K1 O3 83.39(15) . . ?
O7 K1 O3 98.94(6) . . ?
O8B K1 O3 87.83(15) . . ?
O5 K1 O3 120.03(5) . . ?
O8A K1 O1 80.33(16) . . ?
O7 K1 O1 102.60(5) . . ?
O8B K1 O1 90.11(14) . . ?
O5 K1 O1 118.43(6) . . ?
O3 K1 O1 119.91(6) . . ?
O8A K1 O4 97.69(16) . . ?
O7 K1 O4 79.33(5) . . ?
O8B K1 O4 87.86(14) . . ?
O5 K1 O4 61.07(5) . . ?
O3 K1 O4 60.12(5) . . ?
O1 K1 O4 177.97(5) . . ?
O8A K1 O2 83.46(13) . . ?
O7 K1 O2 102.04(6) . . ?
O8B K1 O2 97.83(12) . . ?
O5 K1 O2 176.99(6) . . ?
O3 K1 O2 60.54(6) . . ?
O1 K1 O2 60.36(6) . . ?
O4 K1 O2 120.04(6) . . ?
O8A K1 O6 100.77(16) . . ?
O7 K1 O6 77.06(6) . . ?
O8B K1 O6 96.62(15) . . ?
O5 K1 O6 61.73(5) . . ?
O3 K1 O6 175.50(5) . . ?
O1 K1 O6 59.63(6) . . ?
O4 K1 O6 120.52(6) . . ?
O2 K1 O6 117.95(6) . . ?
O8A K1 C59 161.11(15) . . ?
O7 K1 C59 23.05(6) . . ?
O8B K1 C59 168.63(16) . . ?
O5 K1 C59 98.40(6) . . ?
O3 K1 C59 102.80(6) . . ?
O1 K1 C59 81.15(6) . . ?
O4 K1 C59 100.85(6) . . ?
O2 K1 C59 84.21(6) . . ?
O6 K1 C59 72.71(6) . . ?
C1 N1 C6 117.93(16) . . ?
C1 N1 Rh1 127.78(13) . . ?
C6 N1 Rh1 114.28(12) . . ?
C3 N2 C18 117.96(16) . . ?
C3 N2 Rh1 127.91(13) . . ?
C18 N2 Rh1 114.03(12) . . ?
C30 N3 Rh1 117.76(14) . . ?
C43 N4 Rh1 118.02(14) . . ?
C44 O1 C55 112.3(2) . . ?
C44 O1 K1 116.45(17) . . ?
C55 O1 K1 117.36(16) . . ?
C46 O2 C45 112.3(2) . . ?
C46 O2 K1 113.44(16) . . ?
C45 O2 K1 111.46(18) . . ?
C48 O3 C47 113.2(2) . . ?
C48 O3 K1 114.74(14) . . ?
C47 O3 K1 114.41(15) . . ?
C50 O4 C49 113.01(19) . . ?
C50 O4 K1 111.34(14) . . ?
C49 O4 K1 115.25(14) . . ?
C52 O5 C51 111.9(2) . . ?
C52 O5 K1 112.08(15) . . ?
C51 O5 K1 115.51(14) . . ?
C53 O6 C54 112.1(2) . . ?
C53 O6 K1 112.74(14) . . ?
C54 O6 K1 114.61(17) . . ?
C56 O7 C59 106.1(2) . . ?
C56 O7 K1 127.69(16) . . ?
C59 O7 K1 108.60(15) . . ?
C67 O9 C64 109.7(2) . . ?
N1 C1 C2 123.28(18) . . ?
N1 C1 C5 119.50(18) . . ?
C2 C1 C5 117.22(18) . . ?
C1 C2 C3 128.00(19) . . ?
N2 C3 C2 123.02(18) . . ?
N2 C3 C4 119.13(17) . . ?
C2 C3 C4 117.85(17) . . ?
C7 C6 C11 121.05(18) . . ?
C7 C6 N1 119.44(17) . . ?
C11 C6 N1 119.41(17) . . ?
C8 C7 C6 118.23(19) . . ?
C8 C7 C15 120.3(2) . . ?
C6 C7 C15 121.47(19) . . ?
C9 C8 C7 121.7(2) . . ?
C8 C9 C10 119.3(2) . . ?
C9 C10 C11 121.5(2) . . ?
C10 C11 C6 118.14(19) . . ?
C10 C11 C12 120.79(19) . . ?
C6 C11 C12 121.03(18) . . ?
C11 C12 C14 110.39(18) . . ?
C11 C12 C13 112.58(18) . . ?
C14 C12 C13 110.85(18) . . ?
C7 C15 C16 111.4(2) . . ?
C7 C15 C17 112.0(2) . . ?
C16 C15 C17 111.0(2) . . ?
C23 C18 C19 120.76(18) . . ?
C23 C18 N2 119.13(18) . . ?
C19 C18 N2 119.96(18) . . ?
C20 C19 C18 118.51(19) . . ?
C20 C19 C27 120.25(19) . . ?
C18 C19 C27 121.23(17) . . ?
C21 C20 C19 121.2(2) . . ?
C22 C21 C20 119.6(2) . . ?
C21 C22 C23 121.2(2) . . ?
C22 C23 C18 118.6(2) . . ?
C22 C23 C24 120.0(2) . . ?
C18 C23 C24 121.33(19) . . ?
C23 C24 C25 110.4(2) . . ?
C23 C24 C26 111.9(2) . . ?
C25 C24 C26 111.58(19) . . ?
C19 C27 C28 111.32(18) . . ?
C19 C27 C29 111.61(17) . . ?
C28 C27 C29 110.84(18) . . ?
N3 C30 C43 113.46(17) . . ?
N3 C30 C31 126.36(18) . . ?
C43 C30 C31 120.15(17) . . ?
C32 C31 C36 118.58(18) . . ?
C32 C31 C30 121.22(18) . . ?
C36 C31 C30 120.19(17) . . ?
C33 C32 C31 121.4(2) . . ?
C32 C33 C34 120.2(2) . . ?
C35 C34 C33 119.9(2) . . ?
C34 C35 C36 122.0(2) . . ?
C35 C36 C31 118.04(18) . . ?
C35 C36 C37 122.49(18) . . ?
C31 C36 C37 119.47(18) . . ?
C38 C37 C42 117.98(18) . . ?
C38 C37 C36 122.39(19) . . ?
C42 C37 C36 119.62(17) . . ?
C39 C38 C37 121.8(2) . . ?
C38 C39 C40 120.2(2) . . ?
C41 C40 C39 119.9(2) . . ?
C40 C41 C42 121.3(2) . . ?
C41 C42 C37 118.80(18) . . ?
C41 C42 C43 121.17(18) . . ?
C37 C42 C43 120.03(17) . . ?
N4 C43 C30 113.35(17) . . ?
N4 C43 C42 126.08(18) . . ?
C30 C43 C42 120.54(18) . . ?
O1 C44 C45 109.1(3) . . ?
O2 C45 C44 109.2(3) . . ?
O2 C46 C47 108.6(2) . . ?
O3 C47 C46 108.8(2) . . ?
O3 C48 C49 108.6(2) . . ?
O4 C49 C48 108.52(19) . . ?
O4 C50 C51 108.8(2) . . ?
O5 C51 C50 109.5(2) . . ?
O5 C52 C53 109.6(2) . . ?
O6 C53 C52 109.8(2) . . ?
O6 C54 C55 109.8(2) . . ?
O1 C55 C54 108.6(2) . . ?
O7 C56 C57 106.0(2) . . ?
C58 C57 C56 103.3(2) . . ?
C59 C58 C57 103.6(3) . . ?
O7 C59 C58 104.5(2) . . ?
O7 C59 K1 48.35(11) . . ?
C58 C59 K1 105.51(18) . . ?
C60 O8A C63A 99.2(4) . . ?
C60 O8A K1 122.8(4) . . ?
C63A O8A K1 116.7(4) . . ?
C60 O8B C63B 96.0(4) . . ?
C60 O8B K1 122.6(4) . . ?
C63B O8B K1 111.6(4) . . ?
O8B C60 O8A 28.2(3) . . ?
O8B C60 C61 105.3(3) . . ?
O8A C60 C61 106.0(3) . . ?
C62 C61 C60 103.6(2) . . ?
C63B C62 C63A 45.6(3) . . ?
C63B C62 C61 105.7(3) . . ?
C63A C62 C61 104.5(3) . . ?
C62 C63A O8A 98.0(4) . . ?
C62 C63B O8B 95.7(5) . . ?
O9 C64 C65 106.3(2) . . ?
C64 C65 C66 102.5(2) . . ?
C67 C66 C65 102.8(2) . . ?
O9 C67 C66 106.8(2) . . ?
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 N4 1.9832(17) . ?
Rh1 N3 1.9881(17) . ?
Rh1 N1 2.0097(16) . ?
Rh1 N2 2.0111(16) . ?
K1 O8A 2.675(7) . ?
K1 O7 2.7091(18) . ?
K1 O8B 2.710(7) . ?
K1 O5 2.7570(17) . ?
K1 O3 2.7775(17) . ?
K1 O1 2.7859(17) . ?
K1 O4 2.8013(16) . ?
K1 O2 2.8115(19) . ?
K1 O6 2.8125(16) . ?
K1 C59 3.436(3) . ?
N1 C1 1.332(3) . ?
N1 C6 1.435(2) . ?
N2 C3 1.331(2) . ?
N2 C18 1.435(2) . ?
N3 C30 1.350(2) . ?
N4 C43 1.349(3) . ?
O1 C44 1.409(4) . ?
O1 C55 1.417(3) . ?
O2 C46 1.420(3) . ?
O2 C45 1.425(4) . ?
O3 C48 1.413(3) . ?
O3 C47 1.428(3) . ?
O4 C50 1.413(3) . ?
O4 C49 1.428(3) . ?
O5 C52 1.419(3) . ?
O5 C51 1.426(3) . ?
O6 C53 1.423(3) . ?
O6 C54 1.424(3) . ?
O7 C56 1.407(3) . ?
O7 C59 1.419(3) . ?
O9 C67 1.414(3) . ?
O9 C64 1.423(3) . ?
C1 C2 1.394(3) . ?
C1 C5 1.515(3) . ?
C2 C3 1.401(3) . ?
C3 C4 1.512(3) . ?
C6 C7 1.401(3) . ?
C6 C11 1.407(3) . ?
C7 C8 1.391(3) . ?
C7 C15 1.512(3) . ?
C8 C9 1.378(3) . ?
C9 C10 1.383(3) . ?
C10 C11 1.391(3) . ?
C11 C12 1.520(3) . ?
C12 C14 1.530(3) . ?
C12 C13 1.534(3) . ?
C15 C16 1.524(4) . ?
C15 C17 1.527(4) . ?
C18 C23 1.400(3) . ?
C18 C19 1.401(3) . ?
C19 C20 1.396(3) . ?
C19 C27 1.520(3) . ?
C20 C21 1.381(3) . ?
C21 C22 1.379(3) . ?
C22 C23 1.394(3) . ?
C23 C24 1.520(3) . ?
C24 C25 1.526(3) . ?
C24 C26 1.537(3) . ?
C27 C28 1.525(3) . ?
C27 C29 1.531(3) . ?
C30 C43 1.409(3) . ?
C30 C31 1.437(3) . ?
C31 C32 1.420(3) . ?
C31 C36 1.426(3) . ?
C32 C33 1.372(3) . ?
C33 C34 1.394(3) . ?
C34 C35 1.375(3) . ?
C35 C36 1.412(3) . ?
C36 C37 1.457(3) . ?
C37 C38 1.410(3) . ?
C37 C42 1.422(3) . ?
C38 C39 1.371(3) . ?
C39 C40 1.393(3) . ?
C40 C41 1.372(3) . ?
C41 C42 1.418(3) . ?
C42 C43 1.437(3) . ?
C44 C45 1.478(5) . ?
C46 C47 1.477(4) . ?
C48 C49 1.488(4) . ?
C50 C51 1.482(4) . ?
C52 C53 1.482(4) . ?
C54 C55 1.479(4) . ?
C56 C57 1.537(5) . ?
C57 C58 1.523(4) . ?
C58 C59 1.479(4) . ?
O8A C60 1.433(7) . ?
O8A C63A 1.613(9) . ?
O8B C60 1.395(7) . ?
O8B C63B 1.696(8) . ?
C60 C61 1.515(4) . ?
C61 C62 1.514(4) . ?
C62 C63B 1.399(6) . ?
C62 C63A 1.401(6) . ?
C64 C65 1.499(4) . ?
C65 C66 1.504(4) . ?
C66 C67 1.490(4) . ?
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
N4 Rh1 N1 C1 168.3(6) . . . . ?
N3 Rh1 N1 C1 -179.82(17) . . . . ?
N2 Rh1 N1 C1 1.10(17) . . . . ?
N4 Rh1 N1 C6 -10.2(7) . . . . ?
N3 Rh1 N1 C6 1.69(14) . . . . ?
N2 Rh1 N1 C6 -177.40(13) . . . . ?
N4 Rh1 N2 C3 -179.22(17) . . . . ?
N3 Rh1 N2 C3 -172.5(6) . . . . ?
N1 Rh1 N2 C3 -0.65(17) . . . . ?
N4 Rh1 N2 C18 -2.93(14) . . . . ?
N3 Rh1 N2 C18 3.8(7) . . . . ?
N1 Rh1 N2 C18 175.64(14) . . . . ?
N4 Rh1 N3 C30 1.92(14) . . . . ?
N1 Rh1 N3 C30 -176.72(14) . . . . ?
N2 Rh1 N3 C30 -4.9(7) . . . . ?
N3 Rh1 N4 C43 -2.07(15) . . . . ?
N1 Rh1 N4 C43 10.0(7) . . . . ?
N2 Rh1 N4 C43 177.16(15) . . . . ?
O8A K1 O1 C44 98.9(2) . . . . ?
O7 K1 O1 C44 -85.8(2) . . . . ?
O8B K1 O1 C44 110.0(2) . . . . ?
O5 K1 O1 C44 -172.15(19) . . . . ?
O3 K1 O1 C44 22.4(2) . . . . ?
O4 K1 O1 C44 112.7(17) . . . . ?
O2 K1 O1 C44 11.00(19) . . . . ?
O6 K1 O1 C44 -152.4(2) . . . . ?
C59 K1 O1 C44 -77.3(2) . . . . ?
O8A K1 O1 C55 -123.8(2) . . . . ?
O7 K1 O1 C55 51.41(19) . . . . ?
O8B K1 O1 C55 -112.8(2) . . . . ?
O5 K1 O1 C55 -34.9(2) . . . . ?
O3 K1 O1 C55 159.61(18) . . . . ?
O4 K1 O1 C55 -110.0(17) . . . . ?
O2 K1 O1 C55 148.2(2) . . . . ?
O6 K1 O1 C55 -15.21(18) . . . . ?
C59 K1 O1 C55 59.88(19) . . . . ?
O8A K1 O2 C46 68.4(3) . . . . ?
O7 K1 O2 C46 -111.3(2) . . . . ?
O8B K1 O2 C46 65.3(2) . . . . ?
O5 K1 O2 C46 83.9(11) . . . . ?
O3 K1 O2 C46 -17.72(19) . . . . ?
O1 K1 O2 C46 150.9(2) . . . . ?
O4 K1 O2 C46 -26.8(2) . . . . ?
O6 K1 O2 C46 167.12(19) . . . . ?
C59 K1 O2 C46 -126.0(2) . . . . ?
O8A K1 O2 C45 -59.6(3) . . . . ?
O7 K1 O2 C45 120.8(2) . . . . ?
O8B K1 O2 C45 -62.6(2) . . . . ?
O5 K1 O2 C45 -44.0(11) . . . . ?
O3 K1 O2 C45 -145.6(2) . . . . ?
O1 K1 O2 C45 23.02(19) . . . . ?
O4 K1 O2 C45 -154.68(19) . . . . ?
O6 K1 O2 C45 39.2(2) . . . . ?
C59 K1 O2 C45 106.1(2) . . . . ?
O8A K1 O3 C48 123.4(2) . . . . ?
O7 K1 O3 C48 -51.61(16) . . . . ?
O8B K1 O3 C48 109.30(19) . . . . ?
O5 K1 O3 C48 32.97(17) . . . . ?
O1 K1 O3 C48 -161.81(15) . . . . ?
O4 K1 O3 C48 20.53(15) . . . . ?
O2 K1 O3 C48 -150.44(17) . . . . ?
O6 K1 O3 C48 -78.9(8) . . . . ?
C59 K1 O3 C48 -74.75(16) . . . . ?
O8A K1 O3 C47 -103.4(2) . . . . ?
O7 K1 O3 C47 81.66(18) . . . . ?
O8B K1 O3 C47 -117.4(2) . . . . ?
O5 K1 O3 C47 166.23(17) . . . . ?
O1 K1 O3 C47 -28.55(19) . . . . ?
O4 K1 O3 C47 153.80(19) . . . . ?
O2 K1 O3 C47 -17.18(17) . . . . ?
O6 K1 O3 C47 54.4(8) . . . . ?
C59 K1 O3 C47 58.51(18) . . . . ?
O8A K1 O4 C50 66.9(2) . . . . ?
O7 K1 O4 C50 -108.42(16) . . . . ?
O8B K1 O4 C50 55.9(2) . . . . ?
O5 K1 O4 C50 -23.02(15) . . . . ?
O3 K1 O4 C50 144.68(17) . . . . ?
O1 K1 O4 C50 53.2(17) . . . . ?
O2 K1 O4 C50 153.75(15) . . . . ?
O6 K1 O4 C50 -40.48(17) . . . . ?
C59 K1 O4 C50 -116.69(16) . . . . ?
O8A K1 O4 C49 -63.5(2) . . . . ?
O7 K1 O4 C49 121.17(16) . . . . ?
O8B K1 O4 C49 -74.5(2) . . . . ?
O5 K1 O4 C49 -153.43(17) . . . . ?
O3 K1 O4 C49 14.27(15) . . . . ?
O1 K1 O4 C49 -77.2(17) . . . . ?
O2 K1 O4 C49 23.34(17) . . . . ?
O6 K1 O4 C49 -170.89(14) . . . . ?
C59 K1 O4 C49 112.90(16) . . . . ?
O8A K1 O5 C52 122.2(2) . . . . ?
O7 K1 O5 C52 -58.27(18) . . . . ?
O8B K1 O5 C52 125.5(2) . . . . ?
O3 K1 O5 C52 -153.38(17) . . . . ?
O1 K1 O5 C52 41.19(19) . . . . ?
O4 K1 O5 C52 -141.06(19) . . . . ?
O2 K1 O5 C52 106.7(11) . . . . ?
O6 K1 O5 C52 21.88(17) . . . . ?
C59 K1 O5 C52 -43.25(18) . . . . ?
O8A K1 O5 C51 -108.0(2) . . . . ?
O7 K1 O5 C51 71.55(17) . . . . ?
O8B K1 O5 C51 -104.7(2) . . . . ?
O3 K1 O5 C51 -23.55(18) . . . . ?
O1 K1 O5 C51 171.01(16) . . . . ?
O4 K1 O5 C51 -11.24(16) . . . . ?
O2 K1 O5 C51 -123.5(11) . . . . ?
O6 K1 O5 C51 151.70(18) . . . . ?
C59 K1 O5 C51 86.57(17) . . . . ?
O8A K1 O6 C53 -76.1(2) . . . . ?
O7 K1 O6 C53 98.68(18) . . . . ?
O8B K1 O6 C53 -61.9(2) . . . . ?
O5 K1 O6 C53 12.20(17) . . . . ?
O3 K1 O6 C53 126.4(7) . . . . ?
O1 K1 O6 C53 -148.11(19) . . . . ?
O4 K1 O6 C53 29.54(19) . . . . ?
O2 K1 O6 C53 -164.41(18) . . . . ?
C59 K1 O6 C53 122.14(19) . . . . ?
O8A K1 O6 C54 53.7(2) . . . . ?
O7 K1 O6 C54 -131.52(17) . . . . ?
O8B K1 O6 C54 67.9(2) . . . . ?
O5 K1 O6 C54 142.00(18) . . . . ?
O3 K1 O6 C54 -103.8(7) . . . . ?
O1 K1 O6 C54 -18.31(16) . . . . ?
O4 K1 O6 C54 159.34(16) . . . . ?
O2 K1 O6 C54 -34.60(18) . . . . ?
C59 K1 O6 C54 -108.06(17) . . . . ?
O8A K1 O7 C56 -87.4(17) . . . . ?
O8B K1 O7 C56 -81.2(5) . . . . ?
O5 K1 O7 C56 -91.8(2) . . . . ?
O3 K1 O7 C56 27.4(2) . . . . ?
O1 K1 O7 C56 150.9(2) . . . . ?
O4 K1 O7 C56 -29.8(2) . . . . ?
O2 K1 O7 C56 89.0(2) . . . . ?
O6 K1 O7 C56 -154.8(2) . . . . ?
C59 K1 O7 C56 129.1(3) . . . . ?
O8A K1 O7 C59 143.5(17) . . . . ?
O8B K1 O7 C59 149.8(5) . . . . ?
O5 K1 O7 C59 139.08(17) . . . . ?
O3 K1 O7 C59 -101.72(17) . . . . ?
O1 K1 O7 C59 21.82(18) . . . . ?
O4 K1 O7 C59 -158.84(18) . . . . ?
O2 K1 O7 C59 -40.12(18) . . . . ?
O6 K1 O7 C59 76.16(17) . . . . ?
C6 N1 C1 C2 177.29(18) . . . . ?
Rh1 N1 C1 C2 -1.2(3) . . . . ?
C6 N1 C1 C5 -3.2(3) . . . . ?
Rh1 N1 C1 C5 178.39(14) . . . . ?
N1 C1 C2 C3 0.4(3) . . . . ?
C5 C1 C2 C3 -179.1(2) . . . . ?
C18 N2 C3 C2 -175.91(18) . . . . ?
Rh1 N2 C3 C2 0.2(3) . . . . ?
C18 N2 C3 C4 4.1(3) . . . . ?
Rh1 N2 C3 C4 -179.71(14) . . . . ?
C1 C2 C3 N2 0.1(3) . . . . ?
C1 C2 C3 C4 -180.0(2) . . . . ?
C1 N1 C6 C7 98.0(2) . . . . ?
Rh1 N1 C6 C7 -83.36(19) . . . . ?
C1 N1 C6 C11 -85.8(2) . . . . ?
Rh1 N1 C6 C11 92.90(18) . . . . ?
C11 C6 C7 C8 1.5(3) . . . . ?
N1 C6 C7 C8 177.68(18) . . . . ?
C11 C6 C7 C15 -177.8(2) . . . . ?
N1 C6 C7 C15 -1.6(3) . . . . ?
C6 C7 C8 C9 -1.5(3) . . . . ?
C15 C7 C8 C9 177.8(2) . . . . ?
C7 C8 C9 C10 0.3(4) . . . . ?
C8 C9 C10 C11 1.1(3) . . . . ?
C9 C10 C11 C6 -1.1(3) . . . . ?
C9 C10 C11 C12 -178.8(2) . . . . ?
C7 C6 C11 C10 -0.2(3) . . . . ?
N1 C6 C11 C10 -176.42(18) . . . . ?
C7 C6 C11 C12 177.52(19) . . . . ?
N1 C6 C11 C12 1.3(3) . . . . ?
C10 C11 C12 C14 82.7(2) . . . . ?
C6 C11 C12 C14 -94.9(2) . . . . ?
C10 C11 C12 C13 -41.7(3) . . . . ?
C6 C11 C12 C13 140.6(2) . . . . ?
C8 C7 C15 C16 71.9(3) . . . . ?
C6 C7 C15 C16 -108.8(2) . . . . ?
C8 C7 C15 C17 -53.1(3) . . . . ?
C6 C7 C15 C17 126.2(2) . . . . ?
C3 N2 C18 C23 89.3(2) . . . . ?
Rh1 N2 C18 C23 -87.38(19) . . . . ?
C3 N2 C18 C19 -95.2(2) . . . . ?
Rh1 N2 C18 C19 88.15(19) . . . . ?
C23 C18 C19 C20 3.1(3) . . . . ?
N2 C18 C19 C20 -172.39(18) . . . . ?
C23 C18 C19 C27 -177.88(18) . . . . ?
N2 C18 C19 C27 6.7(3) . . . . ?
C18 C19 C20 C21 -2.0(3) . . . . ?
C27 C19 C20 C21 179.0(2) . . . . ?
C19 C20 C21 C22 -0.1(3) . . . . ?
C20 C21 C22 C23 1.2(3) . . . . ?
C21 C22 C23 C18 -0.1(3) . . . . ?
C21 C22 C23 C24 177.5(2) . . . . ?
C19 C18 C23 C22 -2.1(3) . . . . ?
N2 C18 C23 C22 173.40(18) . . . . ?
C19 C18 C23 C24 -179.62(19) . . . . ?
N2 C18 C23 C24 -4.1(3) . . . . ?
C22 C23 C24 C25 -70.2(3) . . . . ?
C18 C23 C24 C25 107.3(2) . . . . ?
C22 C23 C24 C26 54.7(3) . . . . ?
C18 C23 C24 C26 -127.8(2) . . . . ?
C20 C19 C27 C28 71.9(2) . . . . ?
C18 C19 C27 C28 -107.1(2) . . . . ?
C20 C19 C27 C29 -52.5(3) . . . . ?
C18 C19 C27 C29 128.5(2) . . . . ?
Rh1 N3 C30 C43 -1.5(2) . . . . ?
Rh1 N3 C30 C31 176.79(15) . . . . ?
N3 C30 C31 C32 1.3(3) . . . . ?
C43 C30 C31 C32 179.49(18) . . . . ?
N3 C30 C31 C36 -177.37(18) . . . . ?
C43 C30 C31 C36 0.8(3) . . . . ?
C36 C31 C32 C33 1.0(3) . . . . ?
C30 C31 C32 C33 -177.66(19) . . . . ?
C31 C32 C33 C34 -0.8(3) . . . . ?
C32 C33 C34 C35 -0.4(3) . . . . ?
C33 C34 C35 C36 1.4(3) . . . . ?
C34 C35 C36 C31 -1.1(3) . . . . ?
C34 C35 C36 C37 177.8(2) . . . . ?
C32 C31 C36 C35 -0.1(3) . . . . ?
C30 C31 C36 C35 178.63(18) . . . . ?
C32 C31 C36 C37 -179.05(17) . . . . ?
C30 C31 C36 C37 -0.3(3) . . . . ?
C35 C36 C37 C38 -0.4(3) . . . . ?
C31 C36 C37 C38 178.57(19) . . . . ?
C35 C36 C37 C42 -179.37(19) . . . . ?
C31 C36 C37 C42 -0.4(3) . . . . ?
C42 C37 C38 C39 0.4(3) . . . . ?
C36 C37 C38 C39 -178.7(2) . . . . ?
C37 C38 C39 C40 -1.3(4) . . . . ?
C38 C39 C40 C41 0.9(4) . . . . ?
C39 C40 C41 C42 0.3(3) . . . . ?
C40 C41 C42 C37 -1.2(3) . . . . ?
C40 C41 C42 C43 177.9(2) . . . . ?
C38 C37 C42 C41 0.8(3) . . . . ?
C36 C37 C42 C41 179.88(18) . . . . ?
C38 C37 C42 C43 -178.29(18) . . . . ?
C36 C37 C42 C43 0.8(3) . . . . ?
Rh1 N4 C43 C30 1.9(2) . . . . ?
Rh1 N4 C43 C42 -176.14(15) . . . . ?
N3 C30 C43 N4 -0.2(2) . . . . ?
C31 C30 C43 N4 -178.66(17) . . . . ?
N3 C30 C43 C42 177.91(17) . . . . ?
C31 C30 C43 C42 -0.5(3) . . . . ?
C41 C42 C43 N4 -1.5(3) . . . . ?
C37 C42 C43 N4 177.61(19) . . . . ?
C41 C42 C43 C30 -179.39(19) . . . . ?
C37 C42 C43 C30 -0.3(3) . . . . ?
C55 O1 C44 C45 178.0(3) . . . . ?
K1 O1 C44 C45 -42.7(3) . . . . ?
C46 O2 C45 C44 176.5(3) . . . . ?
K1 O2 C45 C44 -54.9(3) . . . . ?
O1 C44 C45 O2 65.9(4) . . . . ?
C45 O2 C46 C47 177.5(3) . . . . ?
K1 O2 C46 C47 50.0(3) . . . . ?
C48 O3 C47 C46 -176.3(2) . . . . ?
K1 O3 C47 C46 49.7(3) . . . . ?
O2 C46 C47 O3 -67.0(3) . . . . ?
C47 O3 C48 C49 173.8(2) . . . . ?
K1 O3 C48 C49 -52.4(2) . . . . ?
C50 O4 C49 C48 -175.2(2) . . . . ?
K1 O4 C49 C48 -45.6(2) . . . . ?
O3 C48 C49 O4 65.0(2) . . . . ?
C49 O4 C50 C51 -173.7(2) . . . . ?
K1 O4 C50 C51 54.8(2) . . . . ?
C52 O5 C51 C50 173.1(2) . . . . ?
K1 O5 C51 C50 43.2(3) . . . . ?
O4 C50 C51 O5 -66.4(3) . . . . ?
C51 O5 C52 C53 174.0(2) . . . . ?
K1 O5 C52 C53 -54.3(2) . . . . ?
C54 O6 C53 C52 -175.1(2) . . . . ?
K1 O6 C53 C52 -44.0(3) . . . . ?
O5 C52 C53 O6 67.5(3) . . . . ?
C53 O6 C54 C55 179.2(2) . . . . ?
K1 O6 C54 C55 49.1(3) . . . . ?
C44 O1 C55 C54 -175.5(2) . . . . ?
K1 O1 C55 C54 45.5(3) . . . . ?
O6 C54 C55 O1 -62.3(3) . . . . ?
C59 O7 C56 C57 31.7(3) . . . . ?
K1 O7 C56 C57 -98.4(2) . . . . ?
O7 C56 C57 C58 -9.2(3) . . . . ?
C56 C57 C58 C59 -15.2(3) . . . . ?
C56 O7 C59 C58 -42.2(3) . . . . ?
K1 O7 C59 C58 98.0(2) . . . . ?
C56 O7 C59 K1 -140.3(2) . . . . ?
C57 C58 C59 O7 34.7(3) . . . . ?
C57 C58 C59 K1 84.8(2) . . . . ?
O8A K1 C59 O7 -169.8(4) . . . . ?
O8B K1 C59 O7 -118.3(6) . . . . ?
O5 K1 C59 O7 -40.82(17) . . . . ?
O3 K1 C59 O7 82.71(17) . . . . ?
O1 K1 C59 O7 -158.46(18) . . . . ?
O4 K1 C59 O7 21.17(18) . . . . ?
O2 K1 C59 O7 140.70(17) . . . . ?
O6 K1 C59 O7 -97.63(17) . . . . ?
O8A K1 C59 C58 94.4(5) . . . . ?
O7 K1 C59 C58 -95.8(2) . . . . ?
O8B K1 C59 C58 145.9(6) . . . . ?
O5 K1 C59 C58 -136.58(18) . . . . ?
O3 K1 C59 C58 -13.06(19) . . . . ?
O1 K1 C59 C58 105.77(18) . . . . ?
O4 K1 C59 C58 -74.59(18) . . . . ?
O2 K1 C59 C58 44.94(18) . . . . ?
O6 K1 C59 C58 166.60(19) . . . . ?
O7 K1 O8A C60 -58(2) . . . . ?
O8B K1 O8A C60 -66.3(10) . . . . ?
O5 K1 O8A C60 -53.4(4) . . . . ?
O3 K1 O8A C60 -173.2(4) . . . . ?
O1 K1 O8A C60 64.8(4) . . . . ?
O4 K1 O8A C60 -114.7(4) . . . . ?
O2 K1 O8A C60 125.8(4) . . . . ?
O6 K1 O8A C60 8.5(4) . . . . ?
C59 K1 O8A C60 76.3(6) . . . . ?
O7 K1 O8A C63A 64.7(19) . . . . ?
O8B K1 O8A C63A 56.2(10) . . . . ?
O5 K1 O8A C63A 69.1(4) . . . . ?
O3 K1 O8A C63A -50.7(4) . . . . ?
O1 K1 O8A C63A -172.7(4) . . . . ?
O4 K1 O8A C63A 7.8(4) . . . . ?
O2 K1 O8A C63A -111.7(4) . . . . ?
O6 K1 O8A C63A 131.0(4) . . . . ?
C59 K1 O8A C63A -161.3(3) . . . . ?
O8A K1 O8B C60 69.8(10) . . . . ?
O7 K1 O8B C60 -107.9(4) . . . . ?
O5 K1 O8B C60 -97.1(4) . . . . ?
O3 K1 O8B C60 141.7(4) . . . . ?
O1 K1 O8B C60 21.8(4) . . . . ?
O4 K1 O8B C60 -158.1(4) . . . . ?
O2 K1 O8B C60 81.9(4) . . . . ?
O6 K1 O8B C60 -37.6(4) . . . . ?
C59 K1 O8B C60 -17.8(9) . . . . ?
O8A K1 O8B C63B -43.0(10) . . . . ?
O7 K1 O8B C63B 139.3(4) . . . . ?
O5 K1 O8B C63B 150.1(4) . . . . ?
O3 K1 O8B C63B 29.0(4) . . . . ?
O1 K1 O8B C63B -91.0(4) . . . . ?
O4 K1 O8B C63B 89.1(4) . . . . ?
O2 K1 O8B C63B -30.9(4) . . . . ?
O6 K1 O8B C63B -150.4(4) . . . . ?
C59 K1 O8B C63B -130.6(6) . . . . ?
C63B O8B C60 O8A 50.3(9) . . . . ?
K1 O8B C60 O8A -70.2(10) . . . . ?
C63B O8B C60 C61 -45.1(4) . . . . ?
K1 O8B C60 C61 -165.6(3) . . . . ?
C63A O8A C60 O8B -57.4(10) . . . . ?
K1 O8A C60 O8B 72.8(10) . . . . ?
C63A O8A C60 C61 35.2(4) . . . . ?
K1 O8A C60 C61 165.4(3) . . . . ?
O8B C60 C61 C62 21.0(4) . . . . ?
O8A C60 C61 C62 -8.3(4) . . . . ?
C60 C61 C62 C63B 20.0(5) . . . . ?
C60 C61 C62 C63A -27.3(4) . . . . ?
C63B C62 C63A O8A -50.5(5) . . . . ?
C61 C62 C63A O8A 47.4(5) . . . . ?
C60 O8A C63A C62 -52.2(5) . . . . ?
K1 O8A C63A C62 173.7(3) . . . . ?
C63A C62 C63B O8B 50.7(4) . . . . ?
C61 C62 C63B O8B -44.4(5) . . . . ?
C60 O8B C63B C62 56.9(5) . . . . ?
K1 O8B C63B C62 -174.5(3) . . . . ?
C67 O9 C64 C65 11.3(3) . . . . ?
O9 C64 C65 C66 -28.3(3) . . . . ?
C64 C65 C66 C67 33.9(3) . . . . ?
C64 O9 C67 C66 10.9(3) . . . . ?
C65 C66 C67 O9 -28.3(3) . . . . ?
