# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Imidazolium-Bromide-Salt-1
_database_code_depnum_ccdc_archive 'CCDC 1444072'
_audit_update_record             
;
2015-12-23 deposited with the CCDC.
2016-04-12 downloaded from the CCDC.
;
_audit_creation_date             2015-09-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        'Compound 1'
_chemical_formula_moiety         'C11 H27 B10 N2, 0.5(C2 H3 N), Br'
_chemical_formula_sum            'C12 H28.50 B10 Br N2.50'
_chemical_formula_weight         395.88
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C48 H114 B40 Br4 N10'
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x, -y-1/2, z-1/2'

_cell_length_a                   7.6257(3)
_cell_length_b                   25.7293(10)
_cell_length_c                   10.2076(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.279(4)
_cell_angle_gamma                90.00
_cell_volume                     2001.19(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4486
_cell_measurement_temperature    119.99(14)
_cell_measurement_theta_max      30.8090
_cell_measurement_theta_min      4.1360
_exptl_absorpt_coefficient_mu    2.053
_exptl_absorpt_correction_T_max  0.848
_exptl_absorpt_correction_T_min  0.586
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.314
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             812
_exptl_crystal_size_max          0.57
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0400
_diffrn_reflns_av_unetI/netI     0.0517
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            13430
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         3.11
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      119.99(14)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.3095
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   24.00   59.00   1.0000   14.0000
omega____ theta____ kappa____ phi______ frames
    -       12.9509   57.0000  -30.0000 35

#__ type_ start__ end____ width___ exp.time_
  2 omega   40.00   67.00   1.0000   14.0000
omega____ theta____ kappa____ phi______ frames
    -       12.9509   37.0000   30.0000 27

#__ type_ start__ end____ width___ exp.time_
  3 omega  -11.00   73.00   1.0000   14.0000
omega____ theta____ kappa____ phi______ frames
    -       12.9509   57.0000  150.0000 84

#__ type_ start__ end____ width___ exp.time_
  4 omega  -19.00   33.00   1.0000   14.0000
omega____ theta____ kappa____ phi______ frames
    -       12.9509  -37.0000 -120.0000 52

#__ type_ start__ end____ width___ exp.time_
  5 omega  -43.00    2.00   1.0000   14.0000
omega____ theta____ kappa____ phi______ frames
    -       12.9509  -37.0000   30.0000 45
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0132653000
_diffrn_orient_matrix_UB_12      -0.0219840000
_diffrn_orient_matrix_UB_13      0.0403530000
_diffrn_orient_matrix_UB_21      0.0360326000
_diffrn_orient_matrix_UB_22      0.0137956000
_diffrn_orient_matrix_UB_23      0.0548849000
_diffrn_orient_matrix_UB_31      -0.0848085000
_diffrn_orient_matrix_UB_32      0.0092942000
_diffrn_orient_matrix_UB_33      0.0139508000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                4047
_reflns_number_total             4963
_reflns_odcompleteness_completeness 99.82
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     28.22
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.783
_refine_diff_density_min         -0.675
_refine_diff_density_rms         0.082
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     232
_refine_ls_number_reflns         4963
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0575
_refine_ls_R_factor_gt           0.0422
_refine_ls_restrained_S_all      1.056
_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)+(0.0349P)²+1.9377P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0911
_refine_ls_wR_factor_ref         0.0969
_refine_special_details          
;
 Residual electron density indicated presence of disordered solvent. This was modelled
 as half an acetonitrile molecule per asymmetric unit

 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 N3-C12
 1.14 with sigma of 0.01
 C13-C12
 1.45 with sigma of 0.02
3. Others
 Fixed Sof: C13(0.5) H13A(0.5) H13B(0.5) H13C(0.5) C12(0.5) N3(0.5)
4.a Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C4(H4A,H4B)
4.b Me refined with riding coordinates:
 C13(H13A,H13B,H13C)
4.c Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6), C7(H7)
4.d Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C11(H11A,H11B,H11C)
4.e Boron cage BH refined with riding coordinates:
 C1(H1), B3(H3), B4(H4), B5(H5A), B6(H6A), B7(H7A), B8(H8), B9(H9), B10(H10),
 B11(H11), B12(H12)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
N1 N -0.2092(2) 0.39406(7) 0.3440(2) 0.0137(4) Uani 1 d . . .
C1 C -0.5811(3) 0.63647(9) 0.1887(2) 0.0157(5) Uani 1 d . . .
H1 H -0.6952 0.6172 0.2301 0.019 Uiso 1 calc . . R
N2 N -0.3237(2) 0.47067(7) 0.3221(2) 0.0143(4) Uani 1 d . . .
C2 C -0.4038(3) 0.60261(9) 0.1571(2) 0.0136(5) Uani 1 d . . .
C3 C -0.4058(3) 0.54401(9) 0.1795(2) 0.0167(5) Uani 1 d . . .
H3A H -0.5251 0.5315 0.1660 0.020 Uiso 1 calc . . R
H3B H -0.3349 0.5275 0.1145 0.020 Uiso 1 calc . . R
B3 B -0.5404(4) 0.62358(11) 0.0282(3) 0.0188(6) Uani 1 d . . .
H3 H -0.6194 0.5976 -0.0363 0.023 Uiso 1 calc . . R
C4 C -0.3376(3) 0.52753(9) 0.3153(2) 0.0165(5) Uani 1 d . . .
H4A H -0.2233 0.5430 0.3339 0.020 Uiso 1 calc . . R
H4B H -0.4169 0.5398 0.3806 0.020 Uiso 1 calc . . R
B4 B -0.6189(4) 0.68510(11) 0.0785(3) 0.0186(6) Uani 1 d . . .
H4 H -0.7492 0.6994 0.0455 0.022 Uiso 1 calc . . R
C5 C -0.4614(3) 0.43602(9) 0.3270(2) 0.0166(5) Uani 1 d . . .
H5 H -0.5805 0.4440 0.3219 0.020 Uiso 1 calc . . R
B5 B -0.5323(4) 0.69764(11) 0.2396(3) 0.0174(6) Uani 1 d . . .
H5A H -0.6073 0.7200 0.3103 0.021 Uiso 1 calc . . R
C6 C -0.3893(3) 0.38825(9) 0.3408(2) 0.0162(5) Uani 1 d . . .
H6 H -0.4501 0.3571 0.3469 0.019 Uiso 1 calc . . R
B6 B -0.3988(4) 0.64429(10) 0.2902(3) 0.0151(5) Uani 1 d . . .
H6A H -0.3875 0.6316 0.3931 0.018 Uiso 1 calc . . R
C7 C -0.1737(3) 0.44451(9) 0.3336(2) 0.0149(5) Uani 1 d . . .
H7 H -0.0621 0.4591 0.3342 0.018 Uiso 1 calc . . R
B7 B -0.3083(4) 0.62765(11) 0.0222(3) 0.0185(6) Uani 1 d . . .
H7A H -0.2357 0.6044 -0.0482 0.022 Uiso 1 calc . . R
C8 C -0.0783(3) 0.35072(9) 0.3634(2) 0.0165(5) Uani 1 d . . .
B8 B -0.4416(4) 0.68110(11) -0.0287(3) 0.0199(6) Uani 1 d . . .
H8 H -0.4555 0.6931 -0.1320 0.024 Uiso 1 calc . . R
C9 C 0.1057(3) 0.37403(11) 0.3688(3) 0.0273(6) Uani 1 d . . .
H9A H 0.1261 0.3915 0.2877 0.041 Uiso 1 calc . . GR
H9B H 0.1907 0.3468 0.3821 0.041 Uiso 1 calc . . GR
H9C H 0.1163 0.3984 0.4398 0.041 Uiso 1 calc . . GR
B9 B -0.4355(4) 0.72698(11) 0.1027(3) 0.0181(6) Uani 1 d . . .
H9 H -0.4454 0.7690 0.0842 0.022 Uiso 1 calc . . R
C10 C -0.1162(4) 0.32414(10) 0.4927(3) 0.0260(6) Uani 1 d . . .
H10A H -0.1097 0.3492 0.5623 0.039 Uiso 1 calc . . GR
H10B H -0.0312 0.2972 0.5100 0.039 Uiso 1 calc . . GR
H10C H -0.2317 0.3092 0.4871 0.039 Uiso 1 calc . . GR
B10 B -0.2998(4) 0.70165(11) 0.2340(3) 0.0179(6) Uani 1 d . . .
H10 H -0.2220 0.7270 0.3008 0.021 Uiso 1 calc . . R
C11 C -0.1012(4) 0.31381(11) 0.2483(3) 0.0273(6) Uani 1 d . . .
H11A H -0.2201 0.3015 0.2426 0.041 Uiso 1 calc . . GR
H11B H -0.0228 0.2849 0.2605 0.041 Uiso 1 calc . . GR
H11C H -0.0753 0.3317 0.1688 0.041 Uiso 1 calc . . GR
B11 B -0.2202(4) 0.64000(11) 0.1834(3) 0.0181(6) Uani 1 d . . .
H11 H -0.0914 0.6248 0.2172 0.022 Uiso 1 calc . . R
B12 B -0.2430(4) 0.69158(11) 0.0681(3) 0.0190(6) Uani 1 d . . .
H12 H -0.1280 0.7105 0.0272 0.023 Uiso 1 calc . . R
N3 N 0.1519(10) 0.5092(3) 0.0323(9) 0.065(2) Uiso 0.50 d A -1 D
C12 C 0.0100(10) 0.5134(3) 0.0019(9) 0.0437(18) Uiso 0.50 d A -1 D
C13 C -0.1057(19) 0.4728(5) -0.0024(16) 0.106(5) Uiso 0.50 d A -1 D
H13A H -0.1976 0.4797 -0.0671 0.159 Uiso 0.50 calc A -1 R
H13B H -0.1554 0.4686 0.0819 0.159 Uiso 0.50 calc A -1 R
H13C H -0.0453 0.4415 -0.0251 0.159 Uiso 0.50 calc A -1 R
Br1 Br 0.17917(3) 0.533591(9) 0.34544(3) 0.02020(9) Uani 1 d . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
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
N1 C6 1.380(3) . ?
N1 C7 1.331(3) . ?
N1 C8 1.504(3) . ?
C1 H1 1.1000 . ?
C1 C2 1.651(3) . ?
C1 B3 1.713(4) . ?
C1 B4 1.700(4) . ?
C1 B5 1.694(4) . ?
C1 B6 1.712(3) . ?
N2 C4 1.468(3) . ?
N2 C5 1.380(3) . ?
N2 C7 1.328(3) . ?
C2 C3 1.525(3) . ?
C2 B3 1.732(4) . ?
C2 B6 1.730(4) . ?
C2 B7 1.710(4) . ?
C2 B11 1.711(4) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 C4 1.521(3) . ?
B3 H3 1.1000 . ?
B3 B4 1.775(4) . ?
B3 B7 1.777(4) . ?
B3 B8 1.769(4) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
B4 H4 1.1000 . ?
B4 B5 1.777(4) . ?
B4 B8 1.776(4) . ?
B4 B9 1.775(4) . ?
C5 H5 0.9300 . ?
C5 C6 1.351(3) . ?
B5 H5A 1.1000 . ?
B5 B6 1.774(4) . ?
B5 B9 1.774(4) . ?
B5 B10 1.779(4) . ?
C6 H6 0.9300 . ?
B6 H6A 1.1000 . ?
B6 B10 1.764(4) . ?
B6 B11 1.781(4) . ?
C7 H7 0.9300 . ?
B7 H7A 1.1000 . ?
B7 B8 1.776(4) . ?
B7 B11 1.782(4) . ?
B7 B12 1.776(4) . ?
C8 C9 1.525(3) . ?
C8 C10 1.524(4) . ?
C8 C11 1.515(4) . ?
B8 H8 1.1000 . ?
B8 B9 1.786(4) . ?
B8 B12 1.795(4) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
B9 H9 1.1000 . ?
B9 B10 1.784(4) . ?
B9 B12 1.775(4) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
B10 H10 1.1000 . ?
B10 B11 1.782(4) . ?
B10 B12 1.784(4) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
B11 H11 1.1000 . ?
B11 B12 1.778(4) . ?
B12 H12 1.1000 . ?
N3 C12 1.119(8) . ?
C12 C13 1.367(13) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?

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
C6 N1 C8 125.25(19) . . ?
C7 N1 C6 108.00(19) . . ?
C7 N1 C8 126.68(19) . . ?
C2 C1 H1 120.2 . . ?
C2 C1 B3 61.96(15) . . ?
C2 C1 B4 112.18(19) . . ?
C2 C1 B5 112.24(18) . . ?
C2 C1 B6 61.88(15) . . ?
B3 C1 H1 117.1 . . ?
B4 C1 H1 118.0 . . ?
B4 C1 B3 62.69(16) . . ?
B4 C1 B6 115.23(19) . . ?
B5 C1 H1 117.9 . . ?
B5 C1 B3 115.3(2) . . ?
B5 C1 B4 63.16(16) . . ?
B5 C1 B6 62.76(15) . . ?
B6 C1 H1 117.2 . . ?
B6 C1 B3 115.35(19) . . ?
C5 N2 C4 126.29(19) . . ?
C7 N2 C4 124.70(19) . . ?
C7 N2 C5 108.86(19) . . ?
C1 C2 B3 60.77(15) . . ?
C1 C2 B6 60.79(14) . . ?
C1 C2 B7 109.70(18) . . ?
C1 C2 B11 110.12(18) . . ?
C3 C2 C1 118.65(19) . . ?
C3 C2 B3 114.38(19) . . ?
C3 C2 B6 119.7(2) . . ?
C3 C2 B7 120.02(19) . . ?
C3 C2 B11 123.0(2) . . ?
B6 C2 B3 113.42(18) . . ?
B7 C2 B3 62.16(16) . . ?
B7 C2 B6 113.72(18) . . ?
B7 C2 B11 62.77(16) . . ?
B11 C2 B3 114.07(19) . . ?
B11 C2 B6 62.35(16) . . ?
C2 C3 H3A 108.7 . . ?
C2 C3 H3B 108.7 . . ?
H3A C3 H3B 107.6 . . ?
C4 C3 C2 114.03(19) . . ?
C4 C3 H3A 108.7 . . ?
C4 C3 H3B 108.7 . . ?
C1 B3 C2 57.27(14) . . ?
C1 B3 H3 125.0 . . ?
C1 B3 B4 58.30(16) . . ?
C1 B3 B7 103.90(19) . . ?
C1 B3 B8 104.34(19) . . ?
C2 B3 H3 124.3 . . ?
C2 B3 B4 104.9(2) . . ?
C2 B3 B7 58.30(15) . . ?
C2 B3 B8 104.99(19) . . ?
B4 B3 H3 122.1 . . ?
B4 B3 B7 107.8(2) . . ?
B7 B3 H3 122.5 . . ?
B8 B3 H3 122.8 . . ?
B8 B3 B4 60.13(16) . . ?
B8 B3 B7 60.09(16) . . ?
N2 C4 C3 110.03(19) . . ?
N2 C4 H4A 109.7 . . ?
N2 C4 H4B 109.7 . . ?
C3 C4 H4A 109.7 . . ?
C3 C4 H4B 109.7 . . ?
H4A C4 H4B 108.2 . . ?
C1 B4 B3 59.00(15) . . ?
C1 B4 H4 125.1 . . ?
C1 B4 B5 58.26(15) . . ?
C1 B4 B8 104.61(19) . . ?
C1 B4 B9 104.05(19) . . ?
B3 B4 H4 121.3 . . ?
B3 B4 B5 108.21(19) . . ?
B3 B4 B8 59.77(16) . . ?
B5 B4 H4 121.4 . . ?
B8 B4 H4 122.1 . . ?
B8 B4 B5 108.5(2) . . ?
B9 B4 B3 108.0(2) . . ?
B9 B4 H4 122.5 . . ?
B9 B4 B5 59.94(16) . . ?
B9 B4 B8 60.41(16) . . ?
N2 C5 H5 126.7 . . ?
C6 C5 N2 106.5(2) . . ?
C6 C5 H5 126.7 . . ?
C1 B5 B4 58.58(15) . . ?
C1 B5 H5A 124.9 . . ?
C1 B5 B6 59.11(14) . . ?
C1 B5 B9 104.3(2) . . ?
C1 B5 B10 104.54(19) . . ?
B4 B5 H5A 121.2 . . ?
B4 B5 B10 108.3(2) . . ?
B6 B5 B4 108.46(19) . . ?
B6 B5 H5A 121.4 . . ?
B6 B5 B9 107.9(2) . . ?
B6 B5 B10 59.54(15) . . ?
B9 B5 B4 59.96(16) . . ?
B9 B5 H5A 122.5 . . ?
B9 B5 B10 60.26(16) . . ?
B10 B5 H5A 122.4 . . ?
N1 C6 H6 126.1 . . ?
C5 C6 N1 107.7(2) . . ?
C5 C6 H6 126.1 . . ?
C1 B6 C2 57.33(14) . . ?
C1 B6 B5 58.13(15) . . ?
C1 B6 H6A 125.0 . . ?
C1 B6 B10 104.45(19) . . ?
C1 B6 B11 104.18(19) . . ?
C2 B6 B5 104.88(19) . . ?
C2 B6 H6A 124.4 . . ?
C2 B6 B10 105.05(19) . . ?
C2 B6 B11 58.32(15) . . ?
B5 B6 H6A 122.0 . . ?
B5 B6 B11 108.3(2) . . ?
B10 B6 B5 60.40(15) . . ?
B10 B6 H6A 122.7 . . ?
B10 B6 B11 60.34(16) . . ?
B11 B6 H6A 122.2 . . ?
N1 C7 H7 125.5 . . ?
N2 C7 N1 108.9(2) . . ?
N2 C7 H7 125.5 . . ?
C2 B7 B3 59.54(15) . . ?
C2 B7 H7A 124.3 . . ?
C2 B7 B8 105.7(2) . . ?
C2 B7 B11 58.66(15) . . ?
C2 B7 B12 105.1(2) . . ?
B3 B7 H7A 121.2 . . ?
B3 B7 B11 108.6(2) . . ?
B8 B7 B3 59.74(16) . . ?
B8 B7 H7A 121.8 . . ?
B8 B7 B11 108.8(2) . . ?
B8 B7 B12 60.72(16) . . ?
B11 B7 H7A 121.3 . . ?
B12 B7 B3 108.3(2) . . ?
B12 B7 H7A 122.1 . . ?
B12 B7 B11 59.97(16) . . ?
N1 C8 C9 108.55(19) . . ?
N1 C8 C10 107.4(2) . . ?
N1 C8 C11 107.9(2) . . ?
C10 C8 C9 110.6(2) . . ?
C11 C8 C9 110.6(2) . . ?
C11 C8 C10 111.7(2) . . ?
B3 B8 B4 60.10(16) . . ?
B3 B8 B7 60.17(16) . . ?
B3 B8 H8 121.5 . . ?
B3 B8 B9 107.8(2) . . ?
B3 B8 B12 107.8(2) . . ?
B4 B8 H8 121.9 . . ?
B4 B8 B9 59.77(16) . . ?
B4 B8 B12 107.4(2) . . ?
B7 B8 B4 107.8(2) . . ?
B7 B8 H8 122.0 . . ?
B7 B8 B9 107.2(2) . . ?
B7 B8 B12 59.65(16) . . ?
B9 B8 H8 122.2 . . ?
B9 B8 B12 59.44(16) . . ?
B12 B8 H8 122.2 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
B4 B9 B8 59.82(17) . . ?
B4 B9 H9 121.7 . . ?
B4 B9 B10 108.27(19) . . ?
B4 B9 B12 108.3(2) . . ?
B5 B9 B4 60.10(16) . . ?
B5 B9 B8 108.13(19) . . ?
B5 B9 H9 121.7 . . ?
B5 B9 B10 60.02(16) . . ?
B5 B9 B12 108.17(19) . . ?
B8 B9 H9 121.4 . . ?
B10 B9 B8 108.6(2) . . ?
B10 B9 H9 121.4 . . ?
B12 B9 B8 60.53(16) . . ?
B12 B9 H9 121.4 . . ?
B12 B9 B10 60.16(16) . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
B5 B10 B9 59.72(16) . . ?
B5 B10 H10 121.9 . . ?
B5 B10 B11 108.00(19) . . ?
B5 B10 B12 107.6(2) . . ?
B6 B10 B5 60.06(15) . . ?
B6 B10 B9 107.85(19) . . ?
B6 B10 H10 121.5 . . ?
B6 B10 B11 60.31(16) . . ?
B6 B10 B12 108.1(2) . . ?
B9 B10 H10 122.1 . . ?
B11 B10 B9 107.6(2) . . ?
B11 B10 H10 121.7 . . ?
B11 B10 B12 59.82(16) . . ?
B12 B10 B9 59.69(16) . . ?
B12 B10 H10 121.9 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C2 B11 B6 59.33(15) . . ?
C2 B11 B7 58.57(15) . . ?
C2 B11 B10 105.06(19) . . ?
C2 B11 H11 124.3 . . ?
C2 B11 B12 104.9(2) . . ?
B6 B11 B7 107.86(19) . . ?
B6 B11 B10 59.35(16) . . ?
B6 B11 H11 121.7 . . ?
B7 B11 B10 107.8(2) . . ?
B7 B11 H11 121.7 . . ?
B10 B11 H11 122.5 . . ?
B12 B11 B6 107.57(19) . . ?
B12 B11 B7 59.86(16) . . ?
B12 B11 B10 60.14(16) . . ?
B12 B11 H11 122.4 . . ?
B7 B12 B8 59.62(16) . . ?
B7 B12 B10 108.0(2) . . ?
B7 B12 B11 60.17(16) . . ?
B7 B12 H12 122.0 . . ?
B8 B12 H12 121.7 . . ?
B9 B12 B7 107.6(2) . . ?
B9 B12 B8 60.03(16) . . ?
B9 B12 B10 60.16(16) . . ?
B9 B12 B11 108.1(2) . . ?
B9 B12 H12 121.8 . . ?
B10 B12 B8 108.2(2) . . ?
B10 B12 H12 121.5 . . ?
B11 B12 B8 108.09(19) . . ?
B11 B12 B10 60.04(16) . . ?
B11 B12 H12 121.6 . . ?
N3 C12 C13 123.4(8) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?

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
C1 C2 C3 C4 -91.9(3) . . . . ?
C1 C2 B3 B4 35.17(17) . . . . ?
C1 C2 B3 B7 137.09(19) . . . . ?
C1 C2 B3 B8 97.6(2) . . . . ?
C1 C2 B6 B5 -34.97(17) . . . . ?
C1 C2 B6 B10 -97.73(19) . . . . ?
C1 C2 B6 B11 -137.5(2) . . . . ?
C1 C2 B7 B3 -39.13(18) . . . . ?
C1 C2 B7 B8 0.3(2) . . . . ?
C1 C2 B7 B11 103.1(2) . . . . ?
C1 C2 B7 B12 63.6(2) . . . . ?
C1 C2 B11 B6 38.87(18) . . . . ?
C1 C2 B11 B7 -102.4(2) . . . . ?
C1 C2 B11 B10 -0.5(3) . . . . ?
C1 C2 B11 B12 -63.0(2) . . . . ?
C1 B3 B4 B5 32.47(18) . . . . ?
C1 B3 B4 B8 133.7(2) . . . . ?
C1 B3 B4 B9 95.9(2) . . . . ?
C1 B3 B7 C2 36.16(16) . . . . ?
C1 B3 B7 B8 -98.7(2) . . . . ?
C1 B3 B7 B11 2.7(2) . . . . ?
C1 B3 B7 B12 -60.9(2) . . . . ?
C1 B3 B8 B4 -39.44(18) . . . . ?
C1 B3 B8 B7 98.0(2) . . . . ?
C1 B3 B8 B9 -2.0(3) . . . . ?
C1 B3 B8 B12 60.8(2) . . . . ?
C1 B4 B5 B6 33.06(18) . . . . ?
C1 B4 B5 B9 133.5(2) . . . . ?
C1 B4 B5 B10 96.2(2) . . . . ?
C1 B4 B8 B3 39.85(18) . . . . ?
C1 B4 B8 B7 1.8(3) . . . . ?
C1 B4 B8 B9 -98.1(2) . . . . ?
C1 B4 B8 B12 -61.1(2) . . . . ?
C1 B4 B9 B5 -39.53(18) . . . . ?
C1 B4 B9 B8 99.0(2) . . . . ?
C1 B4 B9 B10 -2.4(3) . . . . ?
C1 B4 B9 B12 61.4(2) . . . . ?
C1 B5 B6 C2 34.62(17) . . . . ?
C1 B5 B6 B10 133.7(2) . . . . ?
C1 B5 B6 B11 95.6(2) . . . . ?
C1 B5 B9 B4 39.74(17) . . . . ?
C1 B5 B9 B8 2.7(2) . . . . ?
C1 B5 B9 B10 -98.8(2) . . . . ?
C1 B5 B9 B12 -61.3(2) . . . . ?
C1 B5 B10 B6 -39.84(18) . . . . ?
C1 B5 B10 B9 98.4(2) . . . . ?
C1 B5 B10 B11 -1.9(3) . . . . ?
C1 B5 B10 B12 61.3(2) . . . . ?
C1 B6 B10 B5 39.33(18) . . . . ?
C1 B6 B10 B9 2.1(2) . . . . ?
C1 B6 B10 B11 -98.3(2) . . . . ?
C1 B6 B10 B12 -60.9(2) . . . . ?
C1 B6 B11 C2 -35.88(16) . . . . ?
C1 B6 B11 B7 -1.8(2) . . . . ?
C1 B6 B11 B10 98.8(2) . . . . ?
C1 B6 B11 B12 61.4(2) . . . . ?
N2 C5 C6 N1 0.0(3) . . . . ?
C2 C1 B3 B4 -139.15(19) . . . . ?
C2 C1 B3 B7 -36.64(17) . . . . ?
C2 C1 B3 B8 -98.8(2) . . . . ?
C2 C1 B4 B3 38.57(19) . . . . ?
C2 C1 B4 B5 -104.6(2) . . . . ?
C2 C1 B4 B8 -1.7(3) . . . . ?
C2 C1 B4 B9 -64.2(2) . . . . ?
C2 C1 B5 B4 104.5(2) . . . . ?
C2 C1 B5 B6 -38.43(19) . . . . ?
C2 C1 B5 B9 64.1(2) . . . . ?
C2 C1 B5 B10 1.6(3) . . . . ?
C2 C1 B6 B5 139.3(2) . . . . ?
C2 C1 B6 B10 98.8(2) . . . . ?
C2 C1 B6 B11 36.34(17) . . . . ?
C2 C3 C4 N2 -172.93(19) . . . . ?
C2 B3 B4 C1 -34.71(17) . . . . ?
C2 B3 B4 B5 -2.2(3) . . . . ?
C2 B3 B4 B8 99.0(2) . . . . ?
C2 B3 B4 B9 61.2(2) . . . . ?
C2 B3 B7 B8 -134.9(2) . . . . ?
C2 B3 B7 B11 -33.49(18) . . . . ?
C2 B3 B7 B12 -97.1(2) . . . . ?
C2 B3 B8 B4 -98.8(2) . . . . ?
C2 B3 B8 B7 38.59(18) . . . . ?
C2 B3 B8 B9 -61.4(2) . . . . ?
C2 B3 B8 B12 1.4(3) . . . . ?
C2 B6 B10 B5 98.8(2) . . . . ?
C2 B6 B10 B9 61.6(2) . . . . ?
C2 B6 B10 B11 -38.83(17) . . . . ?
C2 B6 B10 B12 -1.5(2) . . . . ?
C2 B6 B11 B7 34.10(17) . . . . ?
C2 B6 B11 B10 134.6(2) . . . . ?
C2 B6 B11 B12 97.3(2) . . . . ?
C2 B7 B8 B3 -39.35(18) . . . . ?
C2 B7 B8 B4 -1.3(3) . . . . ?
C2 B7 B8 B9 61.7(2) . . . . ?
C2 B7 B8 B12 98.8(2) . . . . ?
C2 B7 B11 B6 -34.41(17) . . . . ?
C2 B7 B11 B10 -97.1(2) . . . . ?
C2 B7 B11 B12 -134.8(2) . . . . ?
C2 B7 B12 B8 -99.8(2) . . . . ?
C2 B7 B12 B9 -62.3(2) . . . . ?
C2 B7 B12 B10 1.2(3) . . . . ?
C2 B7 B12 B11 38.91(18) . . . . ?
C2 B11 B12 B7 -38.83(18) . . . . ?
C2 B11 B12 B8 -2.0(3) . . . . ?
C2 B11 B12 B9 61.5(2) . . . . ?
C2 B11 B12 B10 99.0(2) . . . . ?
C3 C2 B3 C1 110.5(2) . . . . ?
C3 C2 B3 B4 145.6(2) . . . . ?
C3 C2 B3 B7 -112.4(2) . . . . ?
C3 C2 B3 B8 -151.9(2) . . . . ?
C3 C2 B6 C1 -108.3(2) . . . . ?
C3 C2 B6 B5 -143.3(2) . . . . ?
C3 C2 B6 B10 154.0(2) . . . . ?
C3 C2 B6 B11 114.2(2) . . . . ?
C3 C2 B7 B3 103.5(2) . . . . ?
C3 C2 B7 B8 143.0(2) . . . . ?
C3 C2 B7 B11 -114.2(2) . . . . ?
C3 C2 B7 B12 -153.8(2) . . . . ?
C3 C2 B11 B6 -109.0(2) . . . . ?
C3 C2 B11 B7 109.7(2) . . . . ?
C3 C2 B11 B10 -148.4(2) . . . . ?
C3 C2 B11 B12 149.1(2) . . . . ?
B3 C1 C2 C3 -103.5(2) . . . . ?
B3 C1 C2 B6 146.6(2) . . . . ?
B3 C1 C2 B7 39.75(19) . . . . ?
B3 C1 C2 B11 107.0(2) . . . . ?
B3 C1 B4 B5 -143.2(2) . . . . ?
B3 C1 B4 B8 -40.23(19) . . . . ?
B3 C1 B4 B9 -102.8(2) . . . . ?
B3 C1 B5 B4 36.1(2) . . . . ?
B3 C1 B5 B6 -106.8(2) . . . . ?
B3 C1 B5 B9 -4.3(3) . . . . ?
B3 C1 B5 B10 -66.8(2) . . . . ?
B3 C1 B6 C2 -32.55(19) . . . . ?
B3 C1 B6 B5 106.7(2) . . . . ?
B3 C1 B6 B10 66.3(2) . . . . ?
B3 C1 B6 B11 3.8(3) . . . . ?
B3 C2 C3 C4 -160.6(2) . . . . ?
B3 C2 B6 C1 31.59(19) . . . . ?
B3 C2 B6 B5 -3.4(3) . . . . ?
B3 C2 B6 B10 -66.1(2) . . . . ?
B3 C2 B6 B11 -106.0(2) . . . . ?
B3 C2 B7 B8 39.45(18) . . . . ?
B3 C2 B7 B11 142.2(2) . . . . ?
B3 C2 B7 B12 102.7(2) . . . . ?
B3 C2 B11 B6 104.9(2) . . . . ?
B3 C2 B11 B7 -36.38(19) . . . . ?
B3 C2 B11 B10 65.6(2) . . . . ?
B3 C2 B11 B12 3.1(3) . . . . ?
B3 B4 B5 C1 -32.76(18) . . . . ?
B3 B4 B5 B6 0.3(3) . . . . ?
B3 B4 B5 B9 100.7(2) . . . . ?
B3 B4 B5 B10 63.4(2) . . . . ?
B3 B4 B8 B7 -38.06(19) . . . . ?
B3 B4 B8 B9 -137.9(2) . . . . ?
B3 B4 B8 B12 -101.0(2) . . . . ?
B3 B4 B9 B5 -101.0(2) . . . . ?
B3 B4 B9 B8 37.50(19) . . . . ?
B3 B4 B9 B10 -63.9(3) . . . . ?
B3 B4 B9 B12 -0.2(3) . . . . ?
B3 B7 B8 B4 38.0(2) . . . . ?
B3 B7 B8 B9 101.0(2) . . . . ?
B3 B7 B8 B12 138.1(2) . . . . ?
B3 B7 B11 C2 33.84(18) . . . . ?
B3 B7 B11 B6 -0.6(3) . . . . ?
B3 B7 B11 B10 -63.2(2) . . . . ?
B3 B7 B11 B12 -100.9(2) . . . . ?
B3 B7 B12 B8 -37.4(2) . . . . ?
B3 B7 B12 B9 0.1(3) . . . . ?
B3 B7 B12 B10 63.6(2) . . . . ?
B3 B7 B12 B11 101.3(2) . . . . ?
B3 B8 B9 B4 -37.59(19) . . . . ?
B3 B8 B9 B5 -0.4(3) . . . . ?
B3 B8 B9 B10 63.2(2) . . . . ?
B3 B8 B9 B12 100.6(2) . . . . ?
B3 B8 B12 B7 37.45(19) . . . . ?
B3 B8 B12 B9 -100.5(2) . . . . ?
B3 B8 B12 B10 -63.1(2) . . . . ?
B3 B8 B12 B11 0.4(3) . . . . ?
C4 N2 C5 C6 -176.2(2) . . . . ?
C4 N2 C7 N1 176.7(2) . . . . ?
B4 C1 C2 C3 -142.4(2) . . . . ?
B4 C1 C2 B3 -38.88(19) . . . . ?
B4 C1 C2 B6 107.7(2) . . . . ?
B4 C1 C2 B7 0.9(3) . . . . ?
B4 C1 C2 B11 68.1(2) . . . . ?
B4 C1 B3 C2 139.15(19) . . . . ?
B4 C1 B3 B7 102.5(2) . . . . ?
B4 C1 B3 B8 40.34(18) . . . . ?
B4 C1 B5 B6 -142.9(2) . . . . ?
B4 C1 B5 B9 -40.43(18) . . . . ?
B4 C1 B5 B10 -102.9(2) . . . . ?
B4 C1 B6 C2 -102.8(2) . . . . ?
B4 C1 B6 B5 36.5(2) . . . . ?
B4 C1 B6 B10 -4.0(3) . . . . ?
B4 C1 B6 B11 -66.5(2) . . . . ?
B4 B3 B7 C2 96.9(2) . . . . ?
B4 B3 B7 B8 -38.0(2) . . . . ?
B4 B3 B7 B11 63.4(2) . . . . ?
B4 B3 B7 B12 -0.2(3) . . . . ?
B4 B3 B8 B7 137.4(2) . . . . ?
B4 B3 B8 B9 37.44(19) . . . . ?
B4 B3 B8 B12 100.2(2) . . . . ?
B4 B5 B6 C1 -32.85(18) . . . . ?
B4 B5 B6 C2 1.8(2) . . . . ?
B4 B5 B6 B10 100.9(2) . . . . ?
B4 B5 B6 B11 62.8(2) . . . . ?
B4 B5 B9 B8 -37.02(19) . . . . ?
B4 B5 B9 B10 -138.5(2) . . . . ?
B4 B5 B9 B12 -101.1(2) . . . . ?
B4 B5 B10 B6 -101.1(2) . . . . ?
B4 B5 B10 B9 37.16(18) . . . . ?
B4 B5 B10 B11 -63.1(2) . . . . ?
B4 B5 B10 B12 0.1(2) . . . . ?
B4 B8 B9 B5 37.15(19) . . . . ?
B4 B8 B9 B10 100.8(2) . . . . ?
B4 B8 B9 B12 138.2(2) . . . . ?
B4 B8 B12 B7 100.8(2) . . . . ?
B4 B8 B12 B9 -37.11(18) . . . . ?
B4 B8 B12 B10 0.2(3) . . . . ?
B4 B8 B12 B11 63.8(2) . . . . ?
B4 B9 B10 B5 -37.20(19) . . . . ?
B4 B9 B10 B6 0.1(3) . . . . ?
B4 B9 B10 B11 63.8(2) . . . . ?
B4 B9 B10 B12 101.0(2) . . . . ?
B4 B9 B12 B7 0.0(3) . . . . ?
B4 B9 B12 B8 37.36(19) . . . . ?
B4 B9 B12 B10 -101.0(2) . . . . ?
B4 B9 B12 B11 -63.5(3) . . . . ?
C5 N2 C4 C3 -72.9(3) . . . . ?
C5 N2 C7 N1 0.8(3) . . . . ?
B5 C1 C2 C3 148.7(2) . . . . ?
B5 C1 C2 B3 -107.8(2) . . . . ?
B5 C1 C2 B6 38.80(19) . . . . ?
B5 C1 C2 B7 -68.0(2) . . . . ?
B5 C1 C2 B11 -0.8(3) . . . . ?
B5 C1 B3 C2 102.9(2) . . . . ?
B5 C1 B3 B4 -36.28(19) . . . . ?
B5 C1 B3 B7 66.2(2) . . . . ?
B5 C1 B3 B8 4.1(3) . . . . ?
B5 C1 B4 B3 143.2(2) . . . . ?
B5 C1 B4 B8 102.9(2) . . . . ?
B5 C1 B4 B9 40.36(18) . . . . ?
B5 C1 B6 C2 -139.3(2) . . . . ?
B5 C1 B6 B10 -40.46(18) . . . . ?
B5 C1 B6 B11 -102.9(2) . . . . ?
B5 B4 B8 B3 100.8(2) . . . . ?
B5 B4 B8 B7 62.7(2) . . . . ?
B5 B4 B8 B9 -37.16(18) . . . . ?
B5 B4 B8 B12 -0.2(3) . . . . ?
B5 B4 B9 B8 138.6(2) . . . . ?
B5 B4 B9 B10 37.16(19) . . . . ?
B5 B4 B9 B12 100.9(2) . . . . ?
B5 B6 B10 B9 -37.19(19) . . . . ?
B5 B6 B10 B11 -137.6(2) . . . . ?
B5 B6 B10 B12 -100.3(2) . . . . ?
B5 B6 B11 C2 -96.5(2) . . . . ?
B5 B6 B11 B7 -62.4(2) . . . . ?
B5 B6 B11 B10 38.11(19) . . . . ?
B5 B6 B11 B12 0.7(3) . . . . ?
B5 B9 B10 B6 37.34(19) . . . . ?
B5 B9 B10 B11 101.0(2) . . . . ?
B5 B9 B10 B12 138.3(2) . . . . ?
B5 B9 B12 B7 63.7(3) . . . . ?
B5 B9 B12 B8 101.0(2) . . . . ?
B5 B9 B12 B10 -37.37(19) . . . . ?
B5 B9 B12 B11 0.1(3) . . . . ?
B5 B10 B11 C2 1.4(3) . . . . ?
B5 B10 B11 B6 -37.88(19) . . . . ?
B5 B10 B11 B7 62.7(2) . . . . ?
B5 B10 B11 B12 100.3(2) . . . . ?
B5 B10 B12 B7 -63.3(2) . . . . ?
B5 B10 B12 B8 -0.2(3) . . . . ?
B5 B10 B12 B9 37.10(18) . . . . ?
B5 B10 B12 B11 -101.0(2) . . . . ?
C6 N1 C7 N2 -0.8(3) . . . . ?
C6 N1 C8 C9 -176.7(2) . . . . ?
C6 N1 C8 C10 -57.1(3) . . . . ?
C6 N1 C8 C11 63.4(3) . . . . ?
B6 C1 C2 C3 109.9(2) . . . . ?
B6 C1 C2 B3 -146.6(2) . . . . ?
B6 C1 C2 B7 -106.8(2) . . . . ?
B6 C1 C2 B11 -39.56(19) . . . . ?
B6 C1 B3 C2 32.52(18) . . . . ?
B6 C1 B3 B4 -106.6(2) . . . . ?
B6 C1 B3 B7 -4.1(3) . . . . ?
B6 C1 B3 B8 -66.3(2) . . . . ?
B6 C1 B4 B3 106.8(2) . . . . ?
B6 C1 B4 B5 -36.3(2) . . . . ?
B6 C1 B4 B8 66.6(3) . . . . ?
B6 C1 B4 B9 4.0(3) . . . . ?
B6 C1 B5 B4 142.9(2) . . . . ?
B6 C1 B5 B9 102.5(2) . . . . ?
B6 C1 B5 B10 40.06(18) . . . . ?
B6 C2 C3 C4 -21.1(3) . . . . ?
B6 C2 B3 C1 -31.60(18) . . . . ?
B6 C2 B3 B4 3.6(3) . . . . ?
B6 C2 B3 B7 105.5(2) . . . . ?
B6 C2 B3 B8 66.0(2) . . . . ?
B6 C2 B7 B3 -105.0(2) . . . . ?
B6 C2 B7 B8 -65.6(2) . . . . ?
B6 C2 B7 B11 37.23(19) . . . . ?
B6 C2 B7 B12 -2.3(3) . . . . ?
B6 C2 B11 B7 -141.30(19) . . . . ?
B6 C2 B11 B10 -39.34(18) . . . . ?
B6 C2 B11 B12 -101.8(2) . . . . ?
B6 B5 B9 B4 101.4(2) . . . . ?
B6 B5 B9 B8 64.4(2) . . . . ?
B6 B5 B9 B10 -37.11(18) . . . . ?
B6 B5 B9 B12 0.3(3) . . . . ?
B6 B5 B10 B9 138.2(2) . . . . ?
B6 B5 B10 B11 37.99(19) . . . . ?
B6 B5 B10 B12 101.1(2) . . . . ?
B6 B10 B11 C2 39.33(18) . . . . ?
B6 B10 B11 B7 100.6(2) . . . . ?
B6 B10 B11 B12 138.1(2) . . . . ?
B6 B10 B12 B7 0.2(3) . . . . ?
B6 B10 B12 B8 63.2(2) . . . . ?
B6 B10 B12 B9 100.5(2) . . . . ?
B6 B10 B12 B11 -37.57(18) . . . . ?
B6 B11 B12 B7 -100.8(2) . . . . ?
B6 B11 B12 B8 -64.0(2) . . . . ?
B6 B11 B12 B9 -0.5(3) . . . . ?
B6 B11 B12 B10 37.02(19) . . . . ?
C7 N1 C6 C5 0.5(3) . . . . ?
C7 N1 C8 C9 -0.2(3) . . . . ?
C7 N1 C8 C10 119.3(3) . . . . ?
C7 N1 C8 C11 -120.1(3) . . . . ?
C7 N2 C4 C3 111.9(3) . . . . ?
C7 N2 C5 C6 -0.5(3) . . . . ?
B7 C2 C3 C4 128.7(2) . . . . ?
B7 C2 B3 C1 -137.09(19) . . . . ?
B7 C2 B3 B4 -101.9(2) . . . . ?
B7 C2 B3 B8 -39.46(19) . . . . ?
B7 C2 B6 C1 100.1(2) . . . . ?
B7 C2 B6 B5 65.2(2) . . . . ?
B7 C2 B6 B10 2.4(3) . . . . ?
B7 C2 B6 B11 -37.40(19) . . . . ?
B7 C2 B11 B6 141.30(19) . . . . ?
B7 C2 B11 B10 102.0(2) . . . . ?
B7 C2 B11 B12 39.46(18) . . . . ?
B7 B3 B4 C1 -95.7(2) . . . . ?
B7 B3 B4 B5 -63.2(2) . . . . ?
B7 B3 B4 B8 38.0(2) . . . . ?
B7 B3 B4 B9 0.2(3) . . . . ?
B7 B3 B8 B4 -137.4(2) . . . . ?
B7 B3 B8 B9 -100.0(2) . . . . ?
B7 B3 B8 B12 -37.23(19) . . . . ?
B7 B8 B9 B4 -101.0(2) . . . . ?
B7 B8 B9 B5 -63.8(2) . . . . ?
B7 B8 B9 B10 -0.2(3) . . . . ?
B7 B8 B9 B12 37.22(19) . . . . ?
B7 B8 B12 B9 -137.9(2) . . . . ?
B7 B8 B12 B10 -100.6(2) . . . . ?
B7 B8 B12 B11 -37.05(19) . . . . ?
B7 B11 B12 B8 36.82(19) . . . . ?
B7 B11 B12 B9 100.3(2) . . . . ?
B7 B11 B12 B10 137.9(2) . . . . ?
C8 N1 C6 C5 177.5(2) . . . . ?
C8 N1 C7 N2 -177.8(2) . . . . ?
B8 B3 B4 C1 -133.7(2) . . . . ?
B8 B3 B4 B5 -101.2(2) . . . . ?
B8 B3 B4 B9 -37.79(19) . . . . ?
B8 B3 B7 C2 134.9(2) . . . . ?
B8 B3 B7 B11 101.4(2) . . . . ?
B8 B3 B7 B12 37.8(2) . . . . ?
B8 B4 B5 C1 -96.1(2) . . . . ?
B8 B4 B5 B6 -63.0(2) . . . . ?
B8 B4 B5 B9 37.37(18) . . . . ?
B8 B4 B5 B10 0.1(3) . . . . ?
B8 B4 B9 B5 -138.6(2) . . . . ?
B8 B4 B9 B10 -101.4(2) . . . . ?
B8 B4 B9 B12 -37.67(19) . . . . ?
B8 B7 B11 C2 97.3(2) . . . . ?
B8 B7 B11 B6 62.9(2) . . . . ?
B8 B7 B11 B10 0.2(3) . . . . ?
B8 B7 B11 B12 -37.48(19) . . . . ?
B8 B7 B12 B9 37.5(2) . . . . ?
B8 B7 B12 B10 101.0(2) . . . . ?
B8 B7 B12 B11 138.7(2) . . . . ?
B8 B9 B10 B5 -100.6(2) . . . . ?
B8 B9 B10 B6 -63.3(2) . . . . ?
B8 B9 B10 B11 0.4(3) . . . . ?
B8 B9 B10 B12 37.62(19) . . . . ?
B8 B9 B12 B7 -37.31(19) . . . . ?
B8 B9 B12 B10 -138.4(2) . . . . ?
B8 B9 B12 B11 -100.9(2) . . . . ?
B9 B4 B5 C1 -133.5(2) . . . . ?
B9 B4 B5 B6 -100.4(2) . . . . ?
B9 B4 B5 B10 -37.29(18) . . . . ?
B9 B4 B8 B3 137.9(2) . . . . ?
B9 B4 B8 B7 99.9(2) . . . . ?
B9 B4 B8 B12 36.96(18) . . . . ?
B9 B5 B6 C1 -96.3(2) . . . . ?
B9 B5 B6 C2 -61.7(2) . . . . ?
B9 B5 B6 B10 37.42(19) . . . . ?
B9 B5 B6 B11 -0.7(3) . . . . ?
B9 B5 B10 B6 -138.2(2) . . . . ?
B9 B5 B10 B11 -100.2(2) . . . . ?
B9 B5 B10 B12 -37.08(18) . . . . ?
B9 B8 B12 B7 137.9(2) . . . . ?
B9 B8 B12 B10 37.35(18) . . . . ?
B9 B8 B12 B11 100.9(2) . . . . ?
B9 B10 B11 C2 -61.6(2) . . . . ?
B9 B10 B11 B6 -100.9(2) . . . . ?
B9 B10 B11 B7 -0.3(3) . . . . ?
B9 B10 B11 B12 37.21(19) . . . . ?
B9 B10 B12 B7 -100.4(2) . . . . ?
B9 B10 B12 B8 -37.29(18) . . . . ?
B9 B10 B12 B11 -138.1(2) . . . . ?
B10 B5 B6 C1 -133.7(2) . . . . ?
B10 B5 B6 C2 -99.1(2) . . . . ?
B10 B5 B6 B11 -38.08(19) . . . . ?
B10 B5 B9 B4 138.5(2) . . . . ?
B10 B5 B9 B8 101.5(2) . . . . ?
B10 B5 B9 B12 37.44(19) . . . . ?
B10 B6 B11 C2 -134.6(2) . . . . ?
B10 B6 B11 B7 -100.5(2) . . . . ?
B10 B6 B11 B12 -37.37(19) . . . . ?
B10 B9 B12 B7 101.1(2) . . . . ?
B10 B9 B12 B8 138.4(2) . . . . ?
B10 B9 B12 B11 37.50(19) . . . . ?
B10 B11 B12 B7 -137.9(2) . . . . ?
B10 B11 B12 B8 -101.1(2) . . . . ?
B10 B11 B12 B9 -37.55(19) . . . . ?
B11 C2 C3 C4 53.5(3) . . . . ?
B11 C2 B3 C1 -100.5(2) . . . . ?
B11 C2 B3 B4 -65.3(2) . . . . ?
B11 C2 B3 B7 36.6(2) . . . . ?
B11 C2 B3 B8 -2.8(3) . . . . ?
B11 C2 B6 C1 137.5(2) . . . . ?
B11 C2 B6 B5 102.6(2) . . . . ?
B11 C2 B6 B10 39.81(18) . . . . ?
B11 C2 B7 B3 -142.2(2) . . . . ?
B11 C2 B7 B8 -102.8(2) . . . . ?
B11 C2 B7 B12 -39.55(18) . . . . ?
B11 B6 B10 B5 137.6(2) . . . . ?
B11 B6 B10 B9 100.4(2) . . . . ?
B11 B6 B10 B12 37.35(19) . . . . ?
B11 B7 B8 B3 -101.0(2) . . . . ?
B11 B7 B8 B4 -63.0(3) . . . . ?
B11 B7 B8 B9 0.0(3) . . . . ?
B11 B7 B8 B12 37.15(19) . . . . ?
B11 B7 B12 B8 -138.7(2) . . . . ?
B11 B7 B12 B9 -101.2(2) . . . . ?
B11 B7 B12 B10 -37.67(19) . . . . ?
B11 B10 B12 B7 37.73(18) . . . . ?
B11 B10 B12 B8 100.8(2) . . . . ?
B11 B10 B12 B9 138.1(2) . . . . ?
B12 B7 B8 B3 -138.1(2) . . . . ?
B12 B7 B8 B4 -100.1(2) . . . . ?
B12 B7 B8 B9 -37.13(19) . . . . ?
B12 B7 B11 C2 134.8(2) . . . . ?
B12 B7 B11 B6 100.4(2) . . . . ?
B12 B7 B11 B10 37.67(19) . . . . ?
B12 B8 B9 B4 -138.2(2) . . . . ?
B12 B8 B9 B5 -101.1(2) . . . . ?
B12 B8 B9 B10 -37.45(19) . . . . ?
B12 B9 B10 B5 -138.3(2) . . . . ?
B12 B9 B10 B6 -100.9(2) . . . . ?
B12 B9 B10 B11 -37.27(18) . . . . ?
B12 B10 B11 C2 -98.8(2) . . . . ?
B12 B10 B11 B6 -138.1(2) . . . . ?
B12 B10 B11 B7 -37.55(19) . . . . ?

loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-1 25 10 0.0632 -1.0172 24.9852 9.9907 -0.1326 0.8564 0.4579
1 -25 -10 0.0632 1.0172 -24.9852 -9.9907 0.1326 -0.8564 -0.4579
-10 -12 3 0.2285 -10.0091 -12.0005 2.9915 0.5173 -0.3620 0.7791
10 13 -3 0.3005 10.0089 13.0003 -2.9913 -0.5393 0.3758 -0.7697
0 20 -12 0.0311 0.0116 20.0069 -11.9823 -0.9235 -0.3812 0.0178
-1 -20 12 0.0788 -1.0124 -20.0069 11.9819 0.9368 0.3451 0.0671
-10 -8 5 0.2234 -10.0122 -8.0032 4.9895 0.5101 -0.1973 0.8443
11 -3 2 0.3029 11.0061 -3.0009 2.0005 0.0007 0.4650 -0.9334
-1 -33 -6 0.0743 -0.9880 -32.9873 -5.9975 0.4963 -0.8198 -0.3065
0 33 6 0.0491 -0.0128 32.9873 5.9972 -0.4830 0.7838 0.3913
-9 20 -2 0.2164 -9.0073 19.9973 -1.9975 -0.4007 -0.1583 0.9219
9 -17 3 0.2880 9.0056 -16.9989 2.9967 0.3752 0.2545 -0.8799
0 -22 11 0.0706 -0.0101 -22.0055 10.9832 0.9271 0.2989 -0.0504
1 -9 14 0.0575 0.9848 -9.0111 13.9816 0.7492 0.6786 0.0278

_olex2_date_sample_data_collection 2015-04-14
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Imidiazolium-nido-carborane-zwitterion-2
_database_code_depnum_ccdc_archive 'CCDC 1444073'
_audit_update_record             
;
2015-12-23 deposited with the CCDC.
2016-04-12 downloaded from the CCDC.
;
_audit_creation_date             2015-09-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C11 H27 B9 N2'
_chemical_formula_sum            'C11 H27 B9 N2'
_chemical_formula_weight         284.64
_chemical_melting_point          ?
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'
B B 0.0013 0.0007 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x, -y-1/2, z-1/2'

_cell_length_a                   15.6541(15)
_cell_length_b                   13.7503(14)
_cell_length_c                   18.3750(18)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.101(5)
_cell_angle_gamma                90.00
_cell_volume                     3581.7(6)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    0
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.293
_cell_measurement_theta_min      2.448
_exptl_absorpt_coefficient_mu    0.054
_exptl_absorpt_correction_T_max  0.9877
_exptl_absorpt_correction_T_min  0.9730
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
See Sheldrick, G. M. (2002). SADABS.
 University of Gottingen, Germany. 
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.056
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1216
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.41
_exptl_crystal_size_min          0.23
_exptl_special_details           
;
 The crystal temperature was held constant
 using an Oxford Cryosystems
 Cryostream 600 system. 
;
_diffrn_reflns_av_R_equivalents  0.0408
_diffrn_reflns_av_unetI/netI     0.0307
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            58101
_diffrn_reflns_theta_full        29.36
_diffrn_reflns_theta_max         29.36
_diffrn_reflns_theta_min         1.92
_diffrn_ambient_temperature      150.15
_diffrn_detector_area_resol_mean 
;
120 microns
;
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'ApexII camera'
_diffrn_measurement_method       'rotation images'
_diffrn_radiation_monochromator  
;
Mach3 kappa-type 4-circle goniostat.
;
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   
;
Bruker Nonius FR591 rotating anode generator
;
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_reflns_number_gt                7929
_reflns_number_total             9836
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
APEX 2 software, Bruker Nonius 2004
;
_computing_data_collection       
;
APEX 2 software, Bruker Nonius 2004
;
_computing_data_reduction        
;
SAINT - Bruker Integration program embedded in
APEX 2 software, Bruker Nonius 2004
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         0.375
_refine_diff_density_min         -0.202
_refine_diff_density_rms         0.041
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     613
_refine_ls_number_reflns         9836
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0605
_refine_ls_R_factor_gt           0.0462
_refine_ls_restrained_S_all      1.026
_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)+(0.0712P)²+0.7074P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1191
_refine_ls_wR_factor_ref         0.1306
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
N1 N 0.27371(6) 0.47122(6) 0.57935(5) 0.02429(18) Uani 1 d . . .
C1 C 0.38632(7) 0.23544(7) 0.52712(6) 0.0242(2) Uani 1 d . . .
H1 H 0.3215(11) 0.2262(10) 0.5221(8) 0.036(4) Uiso 1 d . . .
N2 N 0.25739(6) 0.43168(6) 0.45895(5) 0.02090(17) Uani 1 d . . .
C2 C 0.39645(7) 0.28233(7) 0.45271(5) 0.01943(18) Uani 1 d . . .
C3 C 0.30584(7) 0.31360(7) 0.38063(6) 0.02242(19) Uani 1 d . . .
H3A H 0.2550(10) 0.2688(10) 0.3741(8) 0.029(3) Uiso 1 d . . .
H3B H 0.3142(10) 0.3067(11) 0.3302(9) 0.037(4) Uiso 1 d . . .
C4 C 0.27843(7) 0.41962(7) 0.38813(6) 0.02223(19) Uani 1 d . . .
B4 B 0.47467(9) 0.26373(9) 0.61415(7) 0.0265(2) Uani 1 d . . .
H4A H 0.2201(10) 0.4400(10) 0.3404(8) 0.030(3) Uiso 1 d . . .
H4B H 0.3311(9) 0.4639(9) 0.3964(7) 0.021(3) Uiso 1 d . . .
H4C H 0.4825(18) 0.3607(18) 0.5795(14) 0.109(8) Uiso 1 d . . .
H4D H 0.4637(11) 0.2684(11) 0.6712(9) 0.045(4) Uiso 1 d . . .
C5 C 0.17898(8) 0.39563(8) 0.46719(7) 0.0294(2) Uani 1 d . . .
B5 B 0.46874(9) 0.14377(8) 0.57107(7) 0.0255(2) Uani 1 d . . .
H5 H 0.1299(10) 0.3613(10) 0.4250(8) 0.037(4) Uiso 1 d . . .
H5A H 0.4530(10) 0.0797(10) 0.5997(8) 0.036(4) Uiso 1 d . . .
C6 C 0.18910(8) 0.42019(8) 0.54202(7) 0.0308(2) Uani 1 d . . .
B6 B 0.41254(8) 0.15720(8) 0.46499(7) 0.0235(2) Uani 1 d . . .
H6 H 0.1497(10) 0.4090(11) 0.5690(8) 0.038(4) Uiso 1 d . . .
H6A H 0.3601(10) 0.1046(10) 0.4242(8) 0.035(4) Uiso 1 d . . .
C7 C 0.31306(7) 0.47754(7) 0.52710(6) 0.02121(19) Uani 1 d . . .
B7 B 0.49216(8) 0.34646(8) 0.47836(7) 0.0230(2) Uani 1 d . . .
H7 H 0.4929(10) 0.4102(11) 0.4402(8) 0.040(4) Uiso 1 d . . .
H7A H 0.3707(9) 0.5091(9) 0.5354(7) 0.024(3) Uiso 1 d . . .
C8 C 0.30997(8) 0.51737(9) 0.66205(6) 0.0312(2) Uani 1 d . . .
B8 B 0.55643(9) 0.33815(8) 0.58720(7) 0.0262(2) Uani 1 d . . .
H8 H 0.6129(11) 0.3912(11) 0.6280(9) 0.042(4) Uiso 1 d . . .
C9 C 0.40253(10) 0.57011(14) 0.67923(8) 0.0460(4) Uani 1 d . . .
B9 B 0.57627(8) 0.21075(9) 0.60862(7) 0.0256(2) Uani 1 d . . .
H9 H 0.6392(9) 0.1881(10) 0.6631(8) 0.032(3) Uiso 1 d . . .
H9A H 0.3940(13) 0.6233(14) 0.6395(11) 0.062(5) Uiso 1 d . . .
H9B H 0.4234(12) 0.6017(13) 0.7316(11) 0.058(5) Uiso 1 d . . .
H9C H 0.4510(12) 0.5244(13) 0.6796(10) 0.056(5) Uiso 1 d . . .
C10 C 0.32460(14) 0.43513(14) 0.72307(9) 0.0533(4) Uani 1 d . . .
B10 B 0.53765(8) 0.14345(8) 0.51506(7) 0.0251(2) Uani 1 d . . .
H10 H 0.5743(10) 0.0762(10) 0.5089(8) 0.035(4) Uiso 1 d . . .
H10A H 0.3693(14) 0.3878(15) 0.7187(11) 0.069(6) Uiso 1 d . . .
H10B H 0.3526(13) 0.4640(13) 0.7762(11) 0.062(5) Uiso 1 d . . .
H10C H 0.2646(16) 0.3995(16) 0.7139(12) 0.081(7) Uiso 1 d . . .
C11 C 0.23379(11) 0.58920(12) 0.66017(9) 0.0455(3) Uani 1 d . . .
B11 B 0.48631(8) 0.22830(8) 0.43456(7) 0.0231(2) Uani 1 d . . .
H11 H 0.4800(10) 0.2202(10) 0.3729(8) 0.036(4) Uiso 1 d . . .
H11A H 0.2578(13) 0.6222(13) 0.7127(11) 0.060(5) Uiso 1 d . . .
H11B H 0.2234(13) 0.6386(14) 0.6165(11) 0.065(5) Uiso 1 d . . .
H11C H 0.1729(14) 0.5537(14) 0.6513(11) 0.064(5) Uiso 1 d . . .
B12 B 0.58718(8) 0.26353(9) 0.52131(7) 0.0246(2) Uani 1 d . . .
H12 H 0.6586(10) 0.2760(11) 0.5196(9) 0.040(4) Uiso 1 d . . .
N21 N 0.22929(6) 0.98408(6) 0.56380(5) 0.02460(18) Uani 1 d . . .
C21 C 0.12825(8) 0.73224(8) 0.34815(7) 0.0279(2) Uani 1 d . . .
H21 H 0.1882(12) 0.7355(11) 0.3374(9) 0.045(4) Uiso 1 d . . .
N22 N 0.19985(6) 0.98504(6) 0.43635(5) 0.02169(17) Uani 1 d . . .
C22 C 0.06755(7) 0.82872(7) 0.32938(6) 0.02129(19) Uani 1 d . . .
C23 C 0.10295(8) 0.91715(8) 0.29947(6) 0.0251(2) Uani 1 d . . .
H23A H 0.1081(10) 0.9022(10) 0.2487(8) 0.036(4) Uiso 1 d . . .
H23B H 0.0565(10) 0.9701(11) 0.2885(8) 0.034(3) Uiso 1 d . . .
C24 C 0.20018(7) 0.95413(8) 0.35905(6) 0.0239(2) Uani 1 d . . .
B24 B 0.12438(9) 0.66934(9) 0.42300(9) 0.0324(3) Uani 1 d . . .
H24A H 0.2506(9) 0.9047(9) 0.3727(7) 0.025(3) Uiso 1 d . . .
H24B H 0.2200(10) 1.0118(10) 0.3372(8) 0.032(3) Uiso 1 d . . .
H24C H 0.1843(12) 0.6220(12) 0.4612(10) 0.052(4) Uiso 1 d . . .
H24D H 0.1129(16) 0.7670(16) 0.4630(13) 0.093(7) Uiso 1 d . . .
C25 C 0.14979(8) 1.06216(8) 0.44861(7) 0.0284(2) Uani 1 d . . .
B25 B 0.05854(9) 0.62867(9) 0.32060(9) 0.0337(3) Uani 1 d . . .
H25 H 0.1116(11) 1.1034(11) 0.4057(9) 0.045(4) Uiso 1 d . . .
H25A H 0.0824(11) 0.5616(12) 0.2999(9) 0.047(4) Uiso 1 d . . .
C26 C 0.16804(8) 1.06180(8) 0.52797(7) 0.0295(2) Uani 1 d . . .
B26 B 0.02575(9) 0.73395(10) 0.25928(8) 0.0316(3) Uani 1 d . . .
H26 H 0.1455(11) 1.1028(11) 0.5581(9) 0.041(4) Uiso 1 d . . .
H26A H 0.0312(12) 0.7403(11) 0.1998(10) 0.049(4) Uiso 1 d . . .
C27 C 0.24660(7) 0.93915(7) 0.50646(6) 0.02276(19) Uani 1 d . . .
B27 B 0.01433(9) 0.84189(9) 0.38788(7) 0.0265(2) Uani 1 d . . .
H27 H 0.0007(11) 0.9154(11) 0.4042(9) 0.045(4) Uiso 1 d . . .
H27A H 0.2873(10) 0.8859(10) 0.5138(8) 0.033(3) Uiso 1 d . . .
C28 C 0.26914(8) 0.95580(9) 0.65178(6) 0.0313(2) Uani 1 d . . .
B28 B 0.04159(10) 0.73552(10) 0.45339(9) 0.0342(3) Uani 1 d . . .
H28 H 0.0381(12) 0.7316(12) 0.5137(10) 0.056(5) Uiso 1 d . . .
C29 C 0.18757(12) 0.91690(14) 0.66887(9) 0.0500(4) Uani 1 d . . .
B29 B 0.00369(9) 0.63267(9) 0.38740(9) 0.0342(3) Uani 1 d . . .
H29 H -0.0162(12) 0.5652(12) 0.4087(9) 0.052(4) Uiso 1 d . . .
H29A H 0.1392(14) 0.9645(15) 0.6597(11) 0.069(6) Uiso 1 d . . .
H29B H 0.2117(13) 0.8974(14) 0.7261(11) 0.064(5) Uiso 1 d . . .
H29C H 0.1557(14) 0.8597(14) 0.6338(11) 0.067(5) Uiso 1 d . . .
C30 C 0.31255(11) 1.04827(12) 0.70111(8) 0.0442(3) Uani 1 d . . .
B30 B -0.05882(9) 0.67466(9) 0.28469(9) 0.0339(3) Uani 1 d . . .
H30 H -0.1241(12) 0.6357(12) 0.2387(9) 0.053(5) Uiso 1 d . . .
H30A H 0.2630(14) 1.0988(14) 0.6936(11) 0.065(5) Uiso 1 d . . .
H30B H 0.3606(13) 1.0799(13) 0.6843(10) 0.059(5) Uiso 1 d . . .
H30C H 0.3441(12) 1.0273(13) 0.7572(11) 0.056(5) Uiso 1 d . . .
C31 C 0.34592(12) 0.87875(13) 0.66786(8) 0.0499(4) Uani 1 d . . .
B31 B -0.05215(8) 0.80394(9) 0.28576(8) 0.0300(3) Uani 1 d . . .
H31 H -0.1017(11) 0.8529(12) 0.2399(9) 0.047(4) Uiso 1 d . . .
H31A H 0.3708(14) 0.8580(14) 0.7235(12) 0.070(6) Uiso 1 d . . .
H31B H 0.3158(12) 0.8182(14) 0.6381(11) 0.057(5) Uiso 1 d . . .
H31C H 0.4010(14) 0.9038(14) 0.6527(11) 0.065(5) Uiso 1 d . . .
B32 B -0.06705(9) 0.74438(9) 0.36474(9) 0.0310(3) Uani 1 d . . .
H32 H -0.1355(11) 0.7490(11) 0.3723(10) 0.048(4) Uiso 1 d . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
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
N1 C6 1.3951(14) . ?
N1 C7 1.3456(13) . ?
N1 C8 1.5174(13) . ?
C1 H1 0.987(15) . ?
C1 C2 1.5792(14) . ?
C1 B4 1.6568(16) . ?
C1 B5 1.7383(15) . ?
C1 B6 1.7398(15) . ?
N2 C4 1.4808(13) . ?
N2 C5 1.3904(13) . ?
N2 C7 1.3414(12) . ?
C2 C3 1.5353(13) . ?
C2 B6 1.7397(14) . ?
C2 B7 1.6266(15) . ?
C2 B11 1.7437(15) . ?
C3 H3A 0.973(14) . ?
C3 H3B 0.994(15) . ?
C3 C4 1.5422(14) . ?
C4 H4A 1.001(13) . ?
C4 H4B 0.984(13) . ?
B4 H4C 1.50(3) . ?
B4 H4D 1.134(15) . ?
B4 B5 1.8149(17) . ?
B4 B8 1.8622(18) . ?
B4 B9 1.7910(18) . ?
C5 H5 0.953(15) . ?
C5 C6 1.3583(17) . ?
B5 H5A 1.106(14) . ?
B5 B6 1.7757(17) . ?
B5 B9 1.7812(17) . ?
B5 B10 1.7790(17) . ?
C6 H6 0.953(15) . ?
B6 H6A 1.112(14) . ?
B6 B10 1.7857(17) . ?
B6 B11 1.7748(17) . ?
C7 H7A 0.953(13) . ?
B7 H7 1.126(15) . ?
B7 B8 1.8216(16) . ?
B7 B11 1.7982(16) . ?
B7 B12 1.7719(16) . ?
C8 C9 1.5286(18) . ?
C8 C10 1.5397(19) . ?
C8 C11 1.5376(18) . ?
B8 H4C 1.15(3) . ?
B8 H8 1.146(15) . ?
B8 B9 1.7934(17) . ?
B8 B12 1.8014(18) . ?
C9 H9A 1.002(19) . ?
C9 H9B 0.977(18) . ?
C9 H9C 0.984(18) . ?
B9 H9 1.110(13) . ?
B9 B10 1.8154(17) . ?
B9 B12 1.8336(17) . ?
C10 H10A 0.98(2) . ?
C10 H10B 0.969(19) . ?
C10 H10C 1.01(2) . ?
B10 H10 1.119(14) . ?
B10 B11 1.7851(17) . ?
B10 B12 1.8071(17) . ?
C11 H11A 0.985(18) . ?
C11 H11B 1.011(19) . ?
C11 H11C 1.021(19) . ?
B11 H11 1.100(14) . ?
B11 B12 1.7701(16) . ?
B12 H12 1.145(15) . ?
N21 C26 1.3997(14) . ?
N21 C27 1.3443(13) . ?
N21 C28 1.5161(13) . ?
C21 H21 1.039(16) . ?
C21 C22 1.5823(14) . ?
C21 B24 1.6475(18) . ?
C21 B25 1.7340(17) . ?
C21 B26 1.7375(17) . ?
N22 C24 1.4846(13) . ?
N22 C25 1.3925(14) . ?
N22 C27 1.3393(13) . ?
C22 C23 1.5317(14) . ?
C22 B26 1.7522(16) . ?
C22 B27 1.6254(16) . ?
C22 B31 1.7306(15) . ?
C23 H23A 0.991(14) . ?
C23 H23B 0.987(15) . ?
C23 C24 1.5362(14) . ?
C24 H24A 0.989(13) . ?
C24 H24B 0.996(14) . ?
B24 H24C 1.112(17) . ?
B24 H24D 1.58(2) . ?
B24 B25 1.808(2) . ?
B24 B28 1.853(2) . ?
B24 B29 1.7897(19) . ?
C25 H25 0.948(16) . ?
C25 C26 1.3618(16) . ?
B25 H25A 1.121(16) . ?
B25 B26 1.772(2) . ?
B25 B29 1.772(2) . ?
B25 B30 1.7838(19) . ?
C26 H26 0.956(15) . ?
B26 H26A 1.135(16) . ?
B26 B30 1.778(2) . ?
B26 B31 1.7756(19) . ?
C27 H27A 0.942(14) . ?
B27 H27 1.100(15) . ?
B27 B28 1.8262(19) . ?
B27 B31 1.7943(18) . ?
B27 B32 1.7725(17) . ?
C28 C29 1.5346(19) . ?
C28 C30 1.5419(18) . ?
C28 C31 1.5339(18) . ?
B28 H24D 1.14(2) . ?
B28 H28 1.133(17) . ?
B28 B29 1.792(2) . ?
B28 B32 1.792(2) . ?
C29 H29A 0.96(2) . ?
C29 H29B 0.992(18) . ?
C29 H29C 1.01(2) . ?
B29 H29 1.102(17) . ?
B29 B30 1.813(2) . ?
B29 B32 1.8352(18) . ?
C30 H30A 1.01(2) . ?
C30 H30B 1.023(19) . ?
C30 H30C 0.978(17) . ?
B30 H30 1.145(16) . ?
B30 B31 1.7803(18) . ?
B30 B32 1.806(2) . ?
C31 H31A 0.970(19) . ?
C31 H31B 0.997(19) . ?
C31 H31C 1.07(2) . ?
B31 H31 1.100(16) . ?
B31 B32 1.766(2) . ?
B32 H32 1.140(16) . ?

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
C6 N1 C8 125.21(9) . . ?
C7 N1 C6 107.95(9) . . ?
C7 N1 C8 126.69(9) . . ?
C2 C1 H1 116.6(8) . . ?
C2 C1 B4 112.99(8) . . ?
C2 C1 B5 111.78(8) . . ?
C2 C1 B6 63.00(6) . . ?
B4 C1 H1 121.7(8) . . ?
B4 C1 B5 64.58(7) . . ?
B4 C1 B6 116.48(8) . . ?
B5 C1 H1 118.8(8) . . ?
B5 C1 B6 61.40(7) . . ?
B6 C1 H1 112.2(8) . . ?
C5 N2 C4 126.27(9) . . ?
C7 N2 C4 125.06(8) . . ?
C7 N2 C5 108.65(9) . . ?
C1 C2 B6 63.01(6) . . ?
C1 C2 B7 112.89(8) . . ?
C1 C2 B11 112.16(7) . . ?
C3 C2 C1 117.78(8) . . ?
C3 C2 B6 114.76(8) . . ?
C3 C2 B7 119.89(8) . . ?
C3 C2 B11 118.64(8) . . ?
B6 C2 B11 61.26(6) . . ?
B7 C2 B6 115.70(8) . . ?
B7 C2 B11 64.38(7) . . ?
C2 C3 H3A 109.7(8) . . ?
C2 C3 H3B 109.8(8) . . ?
C2 C3 C4 112.20(8) . . ?
H3A C3 H3B 104.5(11) . . ?
C4 C3 H3A 111.4(8) . . ?
C4 C3 H3B 109.0(8) . . ?
N2 C4 C3 111.01(8) . . ?
N2 C4 H4A 106.2(8) . . ?
N2 C4 H4B 106.2(7) . . ?
C3 C4 H4A 111.8(8) . . ?
C3 C4 H4B 110.6(7) . . ?
H4A C4 H4B 110.8(10) . . ?
C1 B4 H4C 89.1(9) . . ?
C1 B4 H4D 120.9(8) . . ?
C1 B4 B5 59.89(7) . . ?
C1 B4 B8 105.00(8) . . ?
C1 B4 B9 104.33(8) . . ?
H4C B4 H4D 114.4(12) . . ?
B5 B4 H4C 128.3(9) . . ?
B5 B4 H4D 117.0(8) . . ?
B5 B4 B8 107.29(8) . . ?
B8 B4 H4C 38.0(10) . . ?
B8 B4 H4D 127.3(8) . . ?
B9 B4 H4C 95.9(10) . . ?
B9 B4 H4D 124.2(8) . . ?
B9 B4 B5 59.20(7) . . ?
B9 B4 B8 58.76(7) . . ?
N2 C5 H5 122.2(9) . . ?
C6 C5 N2 107.00(10) . . ?
C6 C5 H5 130.8(9) . . ?
C1 B5 B4 55.54(6) . . ?
C1 B5 H5A 121.8(7) . . ?
C1 B5 B6 59.34(6) . . ?
C1 B5 B9 101.43(8) . . ?
C1 B5 B10 104.22(8) . . ?
B4 B5 H5A 119.9(7) . . ?
B6 B5 B4 107.11(8) . . ?
B6 B5 H5A 119.9(7) . . ?
B6 B5 B9 108.55(8) . . ?
B6 B5 B10 60.31(7) . . ?
B9 B5 B4 59.73(7) . . ?
B9 B5 H5A 126.3(7) . . ?
B10 B5 B4 108.85(8) . . ?
B10 B5 H5A 125.8(7) . . ?
B10 B5 B9 61.31(7) . . ?
N1 C6 H6 121.0(9) . . ?
C5 C6 N1 107.54(10) . . ?
C5 C6 H6 131.5(9) . . ?
C1 B6 B5 59.26(6) . . ?
C1 B6 H6A 122.2(7) . . ?
C1 B6 B10 103.87(8) . . ?
C1 B6 B11 103.43(7) . . ?
C2 B6 C1 53.98(6) . . ?
C2 B6 B5 102.84(7) . . ?
C2 B6 H6A 122.0(7) . . ?
C2 B6 B10 103.79(8) . . ?
C2 B6 B11 59.48(6) . . ?
B5 B6 H6A 123.6(7) . . ?
B5 B6 B10 59.94(7) . . ?
B10 B6 H6A 127.8(7) . . ?
B11 B6 B5 108.52(8) . . ?
B11 B6 H6A 122.6(7) . . ?
B11 B6 B10 60.18(7) . . ?
N1 C7 H7A 127.1(7) . . ?
N2 C7 N1 108.84(9) . . ?
N2 C7 H7A 124.1(7) . . ?
C2 B7 H7 119.6(7) . . ?
C2 B7 B8 107.21(8) . . ?
C2 B7 B11 60.97(6) . . ?
C2 B7 B12 106.03(8) . . ?
B8 B7 H7 125.9(7) . . ?
B11 B7 H7 115.9(7) . . ?
B11 B7 B8 109.53(8) . . ?
B12 B7 H7 123.3(8) . . ?
B12 B7 B8 60.15(7) . . ?
B12 B7 B11 59.44(6) . . ?
N1 C8 C9 108.93(9) . . ?
N1 C8 C10 107.40(11) . . ?
N1 C8 C11 106.80(9) . . ?
C9 C8 C10 111.28(12) . . ?
C9 C8 C11 110.99(12) . . ?
C11 C8 C10 111.25(12) . . ?
B4 B8 H4C 53.9(13) . . ?
B4 B8 H8 127.1(7) . . ?
H4C B8 H8 111.5(15) . . ?
B7 B8 B4 101.81(8) . . ?
B7 B8 H4C 77.8(12) . . ?
B7 B8 H8 126.3(7) . . ?
B9 B8 B4 58.64(7) . . ?
B9 B8 H4C 111.3(13) . . ?
B9 B8 B7 105.41(8) . . ?
B9 B8 H8 117.7(8) . . ?
B9 B8 B12 61.34(7) . . ?
B12 B8 B4 105.99(8) . . ?
B12 B8 H4C 127.9(12) . . ?
B12 B8 B7 58.56(6) . . ?
B12 B8 H8 116.7(8) . . ?
C8 C9 H9A 112.0(11) . . ?
C8 C9 H9B 107.8(10) . . ?
C8 C9 H9C 111.0(10) . . ?
H9A C9 H9B 106.2(15) . . ?
H9A C9 H9C 109.6(14) . . ?
H9B C9 H9C 110.0(14) . . ?
B4 B9 B8 62.60(7) . . ?
B4 B9 H9 122.2(7) . . ?
B4 B9 B10 108.30(8) . . ?
B4 B9 B12 107.65(8) . . ?
B5 B9 B4 61.07(7) . . ?
B5 B9 B8 111.89(8) . . ?
B5 B9 H9 122.3(7) . . ?
B5 B9 B10 59.28(7) . . ?
B5 B9 B12 106.81(8) . . ?
B8 B9 H9 118.5(7) . . ?
B8 B9 B10 109.46(8) . . ?
B8 B9 B12 59.55(7) . . ?
B10 B9 H9 121.5(7) . . ?
B10 B9 B12 59.37(6) . . ?
B12 B9 H9 121.6(7) . . ?
C8 C10 H10A 108.5(11) . . ?
C8 C10 H10B 107.2(11) . . ?
C8 C10 H10C 113.3(12) . . ?
H10A C10 H10B 108.6(15) . . ?
H10A C10 H10C 108.0(17) . . ?
H10B C10 H10C 111.1(16) . . ?
B5 B10 B6 59.75(7) . . ?
B5 B10 B9 59.40(7) . . ?
B5 B10 H10 121.5(7) . . ?
B5 B10 B11 107.91(8) . . ?
B5 B10 B12 108.07(8) . . ?
B6 B10 B9 106.61(8) . . ?
B6 B10 H10 122.2(7) . . ?
B6 B10 B12 106.45(8) . . ?
B9 B10 H10 122.5(7) . . ?
B11 B10 B6 59.61(6) . . ?
B11 B10 B9 107.67(8) . . ?
B11 B10 H10 121.8(7) . . ?
B11 B10 B12 59.04(6) . . ?
B12 B10 B9 60.82(7) . . ?
B12 B10 H10 122.5(7) . . ?
C8 C11 H11A 107.7(11) . . ?
C8 C11 H11B 108.1(11) . . ?
C8 C11 H11C 111.1(10) . . ?
H11A C11 H11B 109.6(15) . . ?
H11A C11 H11C 108.6(14) . . ?
H11B C11 H11C 111.7(15) . . ?
C2 B11 B6 59.26(6) . . ?
C2 B11 B7 54.65(6) . . ?
C2 B11 B10 103.65(8) . . ?
C2 B11 H11 120.8(7) . . ?
C2 B11 B12 101.24(8) . . ?
B6 B11 B7 105.85(8) . . ?
B6 B11 B10 60.21(7) . . ?
B6 B11 H11 118.8(7) . . ?
B7 B11 H11 121.2(7) . . ?
B10 B11 B7 107.47(8) . . ?
B10 B11 H11 126.8(7) . . ?
B12 B11 B6 108.55(8) . . ?
B12 B11 B7 59.54(6) . . ?
B12 B11 B10 61.10(7) . . ?
B12 B11 H11 127.7(8) . . ?
B7 B12 B8 61.29(7) . . ?
B7 B12 B9 105.80(8) . . ?
B7 B12 B10 107.65(8) . . ?
B7 B12 H12 122.4(7) . . ?
B8 B12 B9 59.12(7) . . ?
B8 B12 B10 109.47(8) . . ?
B8 B12 H12 118.4(7) . . ?
B9 B12 H12 122.6(7) . . ?
B10 B12 B9 59.81(7) . . ?
B10 B12 H12 122.2(7) . . ?
B11 B12 B7 61.02(6) . . ?
B11 B12 B8 111.75(8) . . ?
B11 B12 B9 107.52(8) . . ?
B11 B12 B10 59.86(7) . . ?
B11 B12 H12 121.6(7) . . ?
C26 N21 C28 125.97(9) . . ?
C27 N21 C26 107.93(9) . . ?
C27 N21 C28 126.11(9) . . ?
C22 C21 H21 115.5(9) . . ?
C22 C21 B24 113.00(9) . . ?
C22 C21 B25 112.31(8) . . ?
C22 C21 B26 63.51(7) . . ?
B24 C21 H21 122.5(9) . . ?
B24 C21 B25 64.60(8) . . ?
B24 C21 B26 116.45(9) . . ?
B25 C21 H21 119.1(9) . . ?
B25 C21 B26 61.37(8) . . ?
B26 C21 H21 111.7(9) . . ?
C25 N22 C24 127.11(9) . . ?
C27 N22 C24 124.28(9) . . ?
C27 N22 C25 108.57(9) . . ?
C21 C22 B26 62.56(7) . . ?
C21 C22 B27 112.22(8) . . ?
C21 C22 B31 111.59(8) . . ?
C23 C22 C21 117.94(9) . . ?
C23 C22 B26 113.94(8) . . ?
C23 C22 B27 120.91(8) . . ?
C23 C22 B31 118.40(8) . . ?
B27 C22 B26 115.64(8) . . ?
B27 C22 B31 64.55(7) . . ?
B31 C22 B26 61.30(7) . . ?
C22 C23 H23A 111.0(8) . . ?
C22 C23 H23B 108.2(8) . . ?
C22 C23 C24 114.01(8) . . ?
H23A C23 H23B 107.9(11) . . ?
C24 C23 H23A 106.7(8) . . ?
C24 C23 H23B 108.8(8) . . ?
N22 C24 C23 111.84(9) . . ?
N22 C24 H24A 106.3(7) . . ?
N22 C24 H24B 106.6(8) . . ?
C23 C24 H24A 113.3(7) . . ?
C23 C24 H24B 111.1(8) . . ?
H24A C24 H24B 107.3(11) . . ?
C21 B24 H24C 121.0(9) . . ?
C21 B24 H24D 89.7(8) . . ?
C21 B24 B25 60.02(8) . . ?
C21 B24 B28 105.77(9) . . ?
C21 B24 B29 104.46(9) . . ?
H24C B24 H24D 115.8(12) . . ?
B25 B24 H24C 115.6(8) . . ?
B25 B24 H24D 128.4(8) . . ?
B25 B24 B28 107.62(9) . . ?
B28 B24 H24C 127.4(8) . . ?
B28 B24 H24D 37.7(8) . . ?
B29 B24 H24C 122.8(9) . . ?
B29 B24 H24D 95.7(8) . . ?
B29 B24 B25 59.01(8) . . ?
B29 B24 B28 58.91(8) . . ?
N22 C25 H25 121.4(9) . . ?
C26 C25 N22 107.08(9) . . ?
C26 C25 H25 131.5(9) . . ?
C21 B25 B24 55.38(7) . . ?
C21 B25 H25A 121.1(8) . . ?
C21 B25 B26 59.41(7) . . ?
C21 B25 B29 101.66(9) . . ?
C21 B25 B30 103.81(8) . . ?
B24 B25 H25A 118.9(8) . . ?
B26 B25 B24 107.01(8) . . ?
B26 B25 H25A 120.3(8) . . ?
B26 B25 B29 108.68(9) . . ?
B26 B25 B30 59.99(8) . . ?
B29 B25 B24 59.97(8) . . ?
B29 B25 H25A 126.1(8) . . ?
B29 B25 B30 61.29(8) . . ?
B30 B25 B24 108.56(9) . . ?
B30 B25 H25A 127.3(8) . . ?
N21 C26 H26 121.7(9) . . ?
C25 C26 N21 107.28(9) . . ?
C25 C26 H26 131.0(9) . . ?
C21 B26 C22 53.92(6) . . ?
C21 B26 B25 59.22(7) . . ?
C21 B26 H26A 119.3(8) . . ?
C21 B26 B30 103.93(9) . . ?
C21 B26 B31 102.56(8) . . ?
C22 B26 B25 102.89(9) . . ?
C22 B26 H26A 119.6(8) . . ?
C22 B26 B30 103.62(9) . . ?
C22 B26 B31 58.75(6) . . ?
B25 B26 H26A 123.7(8) . . ?
B25 B26 B30 60.35(8) . . ?
B25 B26 B31 108.42(10) . . ?
B30 B26 H26A 131.0(8) . . ?
B31 B26 H26A 124.3(8) . . ?
B31 B26 B30 60.14(8) . . ?
N21 C27 H27A 126.4(8) . . ?
N22 C27 N21 109.14(9) . . ?
N22 C27 H27A 124.4(8) . . ?
C22 B27 H27 119.6(8) . . ?
C22 B27 B28 107.74(9) . . ?
C22 B27 B31 60.57(7) . . ?
C22 B27 B32 105.96(8) . . ?
B28 B27 H27 125.1(8) . . ?
B31 B27 H27 117.3(8) . . ?
B31 B27 B28 109.03(9) . . ?
B32 B27 H27 123.9(8) . . ?
B32 B27 B28 59.70(7) . . ?
B32 B27 B31 59.35(7) . . ?
N21 C28 C29 107.81(10) . . ?
N21 C28 C30 107.14(10) . . ?
N21 C28 C31 108.47(9) . . ?
C29 C28 C30 111.38(12) . . ?
C31 C28 C29 111.83(13) . . ?
C31 C28 C30 110.03(12) . . ?
B24 B28 H24D 57.9(11) . . ?
B24 B28 H28 127.0(9) . . ?
H24D B28 H28 108.5(14) . . ?
B27 B28 B24 101.09(9) . . ?
B27 B28 H24D 74.8(11) . . ?
B27 B28 H28 126.0(8) . . ?
B29 B28 B24 58.78(7) . . ?
B29 B28 H24D 115.2(11) . . ?
B29 B28 B27 105.56(9) . . ?
B29 B28 H28 119.0(9) . . ?
B32 B28 B24 105.95(9) . . ?
B32 B28 H24D 127.3(11) . . ?
B32 B28 B27 58.66(7) . . ?
B32 B28 H28 118.1(9) . . ?
B32 B28 B29 61.60(8) . . ?
C28 C29 H29A 112.9(12) . . ?
C28 C29 H29B 109.6(11) . . ?
C28 C29 H29C 111.8(11) . . ?
H29A C29 H29B 106.8(15) . . ?
H29A C29 H29C 106.3(16) . . ?
H29B C29 H29C 109.4(15) . . ?
B24 B29 B28 62.31(8) . . ?
B24 B29 H29 121.4(9) . . ?
B24 B29 B30 108.11(9) . . ?
B24 B29 B32 106.80(9) . . ?
B25 B29 B24 61.02(8) . . ?
B25 B29 B28 112.00(9) . . ?
B25 B29 H29 120.9(8) . . ?
B25 B29 B30 59.67(8) . . ?
B25 B29 B32 106.97(9) . . ?
B28 B29 H29 119.1(8) . . ?
B28 B29 B30 109.31(9) . . ?
B28 B29 B32 59.18(8) . . ?
B30 B29 H29 121.9(9) . . ?
B30 B29 B32 59.33(8) . . ?
B32 B29 H29 123.4(9) . . ?
C28 C30 H30A 111.6(11) . . ?
C28 C30 H30B 111.7(10) . . ?
C28 C30 H30C 106.0(10) . . ?
H30A C30 H30B 106.7(14) . . ?
H30A C30 H30C 111.3(14) . . ?
H30B C30 H30C 109.6(14) . . ?
B25 B30 B29 59.04(8) . . ?
B25 B30 H30 124.3(8) . . ?
B25 B30 B32 107.76(9) . . ?
B26 B30 B25 59.66(8) . . ?
B26 B30 B29 106.63(9) . . ?
B26 B30 H30 123.5(8) . . ?
B26 B30 B31 59.88(8) . . ?
B26 B30 B32 106.79(8) . . ?
B29 B30 H30 122.5(8) . . ?
B31 B30 B25 107.66(9) . . ?
B31 B30 B29 107.65(9) . . ?
B31 B30 H30 120.3(8) . . ?
B31 B30 B32 59.00(7) . . ?
B32 B30 B29 60.95(8) . . ?
B32 B30 H30 120.0(8) . . ?
C28 C31 H31A 109.8(12) . . ?
C28 C31 H31B 108.8(10) . . ?
C28 C31 H31C 112.3(10) . . ?
H31A C31 H31B 102.6(15) . . ?
H31A C31 H31C 111.1(15) . . ?
H31B C31 H31C 111.8(15) . . ?
C22 B31 B26 59.95(7) . . ?
C22 B31 B27 54.88(6) . . ?
C22 B31 B30 104.40(8) . . ?
C22 B31 H31 120.4(8) . . ?
C22 B31 B32 101.84(8) . . ?
B26 B31 B27 106.45(8) . . ?
B26 B31 B30 59.98(8) . . ?
B26 B31 H31 117.7(8) . . ?
B27 B31 H31 122.0(8) . . ?
B30 B31 B27 107.90(9) . . ?
B30 B31 H31 125.7(8) . . ?
B32 B31 B26 108.63(9) . . ?
B32 B31 B27 59.71(7) . . ?
B32 B31 B30 61.22(8) . . ?
B32 B31 H31 128.1(8) . . ?
B27 B32 B28 61.64(7) . . ?
B27 B32 B29 106.00(9) . . ?
B27 B32 B30 107.74(9) . . ?
B27 B32 H32 123.1(8) . . ?
B28 B32 B29 59.21(8) . . ?
B28 B32 B30 109.66(9) . . ?
B28 B32 H32 118.1(8) . . ?
B29 B32 H32 121.8(8) . . ?
B30 B32 B29 59.71(8) . . ?
B30 B32 H32 121.7(8) . . ?
B31 B32 B27 60.94(7) . . ?
B31 B32 B28 111.92(9) . . ?
B31 B32 B29 107.29(9) . . ?
B31 B32 B30 59.79(8) . . ?
B31 B32 H32 122.3(8) . . ?

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
C1 C2 C3 C4 89.89(10) . . . . ?
C1 C2 B6 B5 -35.52(7) . . . . ?
C1 C2 B6 B10 -97.29(8) . . . . ?
C1 C2 B6 B11 -139.63(8) . . . . ?
C1 C2 B7 B8 1.37(11) . . . . ?
C1 C2 B7 B11 104.57(8) . . . . ?
C1 C2 B7 B12 64.43(10) . . . . ?
C1 C2 B11 B6 38.55(8) . . . . ?
C1 C2 B11 B7 -105.70(8) . . . . ?
C1 C2 B11 B10 -3.78(10) . . . . ?
C1 C2 B11 B12 -66.47(9) . . . . ?
C1 B4 B5 B6 30.88(8) . . . . ?
C1 B4 B5 B9 132.75(9) . . . . ?
C1 B4 B5 B10 94.62(9) . . . . ?
C1 B4 B8 B7 3.10(10) . . . . ?
C1 B4 B8 B9 -97.88(9) . . . . ?
C1 B4 B8 B12 -57.26(10) . . . . ?
C1 B4 B9 B5 -40.97(8) . . . . ?
C1 B4 B9 B8 99.06(8) . . . . ?
C1 B4 B9 B10 -3.87(11) . . . . ?
C1 B4 B9 B12 58.88(10) . . . . ?
C1 B5 B6 C2 33.15(7) . . . . ?
C1 B5 B6 B10 131.81(8) . . . . ?
C1 B5 B6 B11 94.92(8) . . . . ?
C1 B5 B9 B4 38.15(7) . . . . ?
C1 B5 B9 B8 0.22(11) . . . . ?
C1 B5 B9 B10 -100.08(8) . . . . ?
C1 B5 B9 B12 -63.09(9) . . . . ?
C1 B5 B10 B6 -41.41(7) . . . . ?
C1 B5 B10 B9 95.41(8) . . . . ?
C1 B5 B10 B11 -4.92(10) . . . . ?
C1 B5 B10 B12 57.48(10) . . . . ?
C1 B6 B10 B5 41.29(7) . . . . ?
C1 B6 B10 B9 3.37(10) . . . . ?
C1 B6 B10 B11 -97.71(8) . . . . ?
C1 B6 B10 B12 -60.37(10) . . . . ?
C1 B6 B11 C2 -32.59(6) . . . . ?
C1 B6 B11 B7 -2.89(10) . . . . ?
C1 B6 B11 B10 98.47(8) . . . . ?
C1 B6 B11 B12 59.69(10) . . . . ?
N2 C5 C6 N1 0.00(13) . . . . ?
C2 C1 B4 B5 -104.16(9) . . . . ?
C2 C1 B4 B8 -2.60(11) . . . . ?
C2 C1 B4 B9 -63.54(10) . . . . ?
C2 C1 B5 B4 106.00(9) . . . . ?
C2 C1 B5 B6 -39.23(8) . . . . ?
C2 C1 B5 B9 65.69(10) . . . . ?
C2 C1 B5 B10 2.69(11) . . . . ?
C2 C1 B6 B5 138.77(8) . . . . ?
C2 C1 B6 B10 97.12(8) . . . . ?
C2 C1 B6 B11 35.00(7) . . . . ?
C2 C3 C4 N2 -62.90(11) . . . . ?
C2 B6 B10 B5 97.03(8) . . . . ?
C2 B6 B10 B9 59.10(9) . . . . ?
C2 B6 B10 B11 -41.98(7) . . . . ?
C2 B6 B10 B12 -4.64(10) . . . . ?
C2 B6 B11 B7 29.70(7) . . . . ?
C2 B6 B11 B10 131.06(8) . . . . ?
C2 B6 B11 B12 92.28(8) . . . . ?
C2 B7 B8 B4 -2.71(10) . . . . ?
C2 B7 B8 B9 57.69(10) . . . . ?
C2 B7 B8 B12 98.95(8) . . . . ?
C2 B7 B11 B6 -31.47(7) . . . . ?
C2 B7 B11 B10 -94.60(8) . . . . ?
C2 B7 B11 B12 -133.99(8) . . . . ?
C2 B7 B12 B8 -100.96(9) . . . . ?
C2 B7 B12 B9 -60.70(10) . . . . ?
C2 B7 B12 B10 2.02(11) . . . . ?
C2 B7 B12 B11 40.89(7) . . . . ?
C2 B11 B12 B7 -36.75(7) . . . . ?
C2 B11 B12 B8 -1.06(10) . . . . ?
C2 B11 B12 B9 61.97(9) . . . . ?
C2 B11 B12 B10 99.51(8) . . . . ?
C3 C2 B6 C1 -109.94(9) . . . . ?
C3 C2 B6 B5 -145.46(8) . . . . ?
C3 C2 B6 B10 152.77(8) . . . . ?
C3 C2 B6 B11 110.43(9) . . . . ?
C3 C2 B7 B8 147.08(9) . . . . ?
C3 C2 B7 B11 -109.72(9) . . . . ?
C3 C2 B7 B12 -149.86(9) . . . . ?
C3 C2 B11 B6 -104.17(9) . . . . ?
C3 C2 B11 B7 111.58(9) . . . . ?
C3 C2 B11 B10 -146.50(8) . . . . ?
C3 C2 B11 B12 150.81(8) . . . . ?
C4 N2 C5 C6 177.88(9) . . . . ?
C4 N2 C7 N1 -177.62(8) . . . . ?
B4 C1 C2 C3 -145.64(9) . . . . ?
B4 C1 C2 B6 109.11(9) . . . . ?
B4 C1 C2 B7 0.86(11) . . . . ?
B4 C1 C2 B11 71.29(10) . . . . ?
B4 C1 B5 B6 -145.23(9) . . . . ?
B4 C1 B5 B9 -40.32(8) . . . . ?
B4 C1 B5 B10 -103.32(9) . . . . ?
B4 C1 B6 C2 -103.64(10) . . . . ?
B4 C1 B6 B5 35.12(9) . . . . ?
B4 C1 B6 B10 -6.52(11) . . . . ?
B4 C1 B6 B11 -68.64(10) . . . . ?
B4 B5 B6 C1 -29.47(8) . . . . ?
B4 B5 B6 C2 3.68(10) . . . . ?
B4 B5 B6 B10 102.34(9) . . . . ?
B4 B5 B6 B11 65.45(10) . . . . ?
B4 B5 B9 B8 -37.93(8) . . . . ?
B4 B5 B9 B10 -138.23(8) . . . . ?
B4 B5 B9 B12 -101.24(8) . . . . ?
B4 B5 B10 B6 -99.39(8) . . . . ?
B4 B5 B10 B9 37.44(8) . . . . ?
B4 B5 B10 B11 -62.90(10) . . . . ?
B4 B5 B10 B12 -0.49(11) . . . . ?
B4 B8 B9 B5 37.30(8) . . . . ?
B4 B8 B9 B10 101.07(9) . . . . ?
B4 B8 B9 B12 134.50(8) . . . . ?
B4 B8 B12 B7 94.26(8) . . . . ?
B4 B8 B12 B9 -39.31(7) . . . . ?
B4 B8 B12 B10 -5.71(10) . . . . ?
B4 B8 B12 B11 58.68(10) . . . . ?
B4 B9 B10 B5 -37.88(8) . . . . ?
B4 B9 B10 B6 0.20(11) . . . . ?
B4 B9 B10 B11 62.87(10) . . . . ?
B4 B9 B10 B12 100.10(9) . . . . ?
B4 B9 B12 B7 0.32(10) . . . . ?
B4 B9 B12 B8 41.65(8) . . . . ?
B4 B9 B12 B10 -101.22(9) . . . . ?
B4 B9 B12 B11 -63.66(10) . . . . ?
C5 N2 C4 C3 -70.81(12) . . . . ?
C5 N2 C7 N1 0.74(11) . . . . ?
B5 C1 C2 C3 143.80(8) . . . . ?
B5 C1 C2 B6 38.55(8) . . . . ?
B5 C1 C2 B7 -69.71(10) . . . . ?
B5 C1 C2 B11 0.73(11) . . . . ?
B5 C1 B4 B8 101.56(9) . . . . ?
B5 C1 B4 B9 40.62(8) . . . . ?
B5 C1 B6 C2 -138.77(8) . . . . ?
B5 C1 B6 B10 -41.65(7) . . . . ?
B5 C1 B6 B11 -103.76(8) . . . . ?
B5 B4 B8 B7 65.68(9) . . . . ?
B5 B4 B8 B9 -35.31(8) . . . . ?
B5 B4 B8 B12 5.31(10) . . . . ?
B5 B4 B9 B8 140.03(8) . . . . ?
B5 B4 B9 B10 37.10(8) . . . . ?
B5 B4 B9 B12 99.84(9) . . . . ?
B5 B6 B10 B9 -37.92(8) . . . . ?
B5 B6 B10 B11 -139.00(8) . . . . ?
B5 B6 B10 B12 -101.66(9) . . . . ?
B5 B6 B11 C2 -94.28(8) . . . . ?
B5 B6 B11 B7 -64.58(9) . . . . ?
B5 B6 B11 B10 36.78(8) . . . . ?
B5 B6 B11 B12 -2.00(11) . . . . ?
B5 B9 B10 B6 38.08(8) . . . . ?
B5 B9 B10 B11 100.75(9) . . . . ?
B5 B9 B10 B12 137.98(8) . . . . ?
B5 B9 B12 B7 64.58(10) . . . . ?
B5 B9 B12 B8 105.91(9) . . . . ?
B5 B9 B12 B10 -36.95(8) . . . . ?
B5 B9 B12 B11 0.61(11) . . . . ?
B5 B10 B11 C2 5.28(10) . . . . ?
B5 B10 B11 B6 -36.55(8) . . . . ?
B5 B10 B11 B7 62.07(10) . . . . ?
B5 B10 B11 B12 100.73(9) . . . . ?
B5 B10 B12 B7 -61.06(10) . . . . ?
B5 B10 B12 B8 3.97(11) . . . . ?
B5 B10 B12 B9 37.31(8) . . . . ?
B5 B10 B12 B11 -100.46(9) . . . . ?
C6 N1 C7 N2 -0.73(11) . . . . ?
C6 N1 C8 C9 -177.44(12) . . . . ?
C6 N1 C8 C10 61.93(15) . . . . ?
C6 N1 C8 C11 -57.50(15) . . . . ?
B6 C1 C2 C3 105.25(9) . . . . ?
B6 C1 C2 B7 -108.26(9) . . . . ?
B6 C1 C2 B11 -37.82(8) . . . . ?
B6 C1 B4 B5 -34.01(8) . . . . ?
B6 C1 B4 B8 67.55(10) . . . . ?
B6 C1 B4 B9 6.61(11) . . . . ?
B6 C1 B5 B4 145.23(9) . . . . ?
B6 C1 B5 B9 104.92(8) . . . . ?
B6 C1 B5 B10 41.92(8) . . . . ?
B6 C2 C3 C4 161.12(8) . . . . ?
B6 C2 B7 B8 -68.54(10) . . . . ?
B6 C2 B7 B11 34.65(8) . . . . ?
B6 C2 B7 B12 -5.49(11) . . . . ?
B6 C2 B11 B7 -144.24(8) . . . . ?
B6 C2 B11 B10 -42.33(7) . . . . ?
B6 C2 B11 B12 -105.02(8) . . . . ?
B6 B5 B9 B4 99.40(9) . . . . ?
B6 B5 B9 B8 61.47(11) . . . . ?
B6 B5 B9 B10 -38.82(8) . . . . ?
B6 B5 B9 B12 -1.83(11) . . . . ?
B6 B5 B10 B9 136.83(8) . . . . ?
B6 B5 B10 B11 36.49(7) . . . . ?
B6 B5 B10 B12 98.89(8) . . . . ?
B6 B10 B11 C2 41.83(7) . . . . ?
B6 B10 B11 B7 98.62(9) . . . . ?
B6 B10 B11 B12 137.29(8) . . . . ?
B6 B10 B12 B7 1.80(11) . . . . ?
B6 B10 B12 B8 66.83(10) . . . . ?
B6 B10 B12 B9 100.17(9) . . . . ?
B6 B10 B12 B11 -37.60(8) . . . . ?
B6 B11 B12 B7 -97.87(9) . . . . ?
B6 B11 B12 B8 -62.18(10) . . . . ?
B6 B11 B12 B9 0.85(11) . . . . ?
B6 B11 B12 B10 38.39(8) . . . . ?
C7 N1 C6 C5 0.45(12) . . . . ?
C7 N1 C8 C9 -2.36(16) . . . . ?
C7 N1 C8 C10 -122.99(13) . . . . ?
C7 N1 C8 C11 117.57(12) . . . . ?
C7 N2 C4 C3 107.25(10) . . . . ?
C7 N2 C5 C6 -0.45(12) . . . . ?
B7 C2 C3 C4 -54.19(12) . . . . ?
B7 C2 B6 C1 103.85(9) . . . . ?
B7 C2 B6 B5 68.33(10) . . . . ?
B7 C2 B6 B10 6.56(11) . . . . ?
B7 C2 B6 B11 -35.78(8) . . . . ?
B7 C2 B11 B6 144.24(8) . . . . ?
B7 C2 B11 B10 101.91(8) . . . . ?
B7 C2 B11 B12 39.22(7) . . . . ?
B7 B8 B9 B4 -94.62(9) . . . . ?
B7 B8 B9 B5 -57.32(11) . . . . ?
B7 B8 B9 B10 6.45(11) . . . . ?
B7 B8 B9 B12 39.88(8) . . . . ?
B7 B8 B12 B9 -133.57(8) . . . . ?
B7 B8 B12 B10 -99.97(9) . . . . ?
B7 B8 B12 B11 -35.58(8) . . . . ?
B7 B11 B12 B8 35.69(8) . . . . ?
B7 B11 B12 B9 98.72(9) . . . . ?
B7 B11 B12 B10 136.26(8) . . . . ?
C8 N1 C6 C5 176.30(10) . . . . ?
C8 N1 C7 N2 -176.51(9) . . . . ?
B8 B4 B5 C1 -97.63(9) . . . . ?
B8 B4 B5 B6 -66.75(10) . . . . ?
B8 B4 B5 B9 35.12(7) . . . . ?
B8 B4 B5 B10 -3.01(11) . . . . ?
B8 B4 B9 B5 -140.03(8) . . . . ?
B8 B4 B9 B10 -102.93(8) . . . . ?
B8 B4 B9 B12 -40.18(7) . . . . ?
B8 B7 B11 C2 99.34(9) . . . . ?
B8 B7 B11 B6 67.86(10) . . . . ?
B8 B7 B11 B10 4.74(11) . . . . ?
B8 B7 B11 B12 -34.65(8) . . . . ?
B8 B7 B12 B9 40.26(7) . . . . ?
B8 B7 B12 B10 102.98(9) . . . . ?
B8 B7 B12 B11 141.84(8) . . . . ?
B8 B9 B10 B5 -104.48(9) . . . . ?
B8 B9 B10 B6 -66.40(10) . . . . ?
B8 B9 B10 B11 -3.73(11) . . . . ?
B8 B9 B10 B12 33.50(8) . . . . ?
B8 B9 B12 B7 -41.33(8) . . . . ?
B8 B9 B12 B10 -142.87(8) . . . . ?
B8 B9 B12 B11 -105.31(9) . . . . ?
B9 B4 B5 C1 -132.75(9) . . . . ?
B9 B4 B5 B6 -101.87(9) . . . . ?
B9 B4 B5 B10 -38.13(8) . . . . ?
B9 B4 B8 B7 100.99(8) . . . . ?
B9 B4 B8 B12 40.62(8) . . . . ?
B9 B5 B6 C1 -92.53(9) . . . . ?
B9 B5 B6 C2 -59.38(10) . . . . ?
B9 B5 B6 B10 39.28(8) . . . . ?
B9 B5 B6 B11 2.39(11) . . . . ?
B9 B5 B10 B6 -136.83(8) . . . . ?
B9 B5 B10 B11 -100.34(8) . . . . ?
B9 B5 B10 B12 -37.93(7) . . . . ?
B9 B8 B12 B7 133.57(8) . . . . ?
B9 B8 B12 B10 33.60(8) . . . . ?
B9 B8 B12 B11 97.99(9) . . . . ?
B9 B10 B11 C2 -57.44(9) . . . . ?
B9 B10 B11 B6 -99.26(9) . . . . ?
B9 B10 B11 B7 -0.65(11) . . . . ?
B9 B10 B11 B12 38.02(8) . . . . ?
B9 B10 B12 B7 -98.36(9) . . . . ?
B9 B10 B12 B8 -33.33(8) . . . . ?
B9 B10 B12 B11 -137.76(8) . . . . ?
B10 B5 B6 C1 -131.81(8) . . . . ?
B10 B5 B6 C2 -98.66(8) . . . . ?
B10 B5 B6 B11 -36.89(8) . . . . ?
B10 B5 B9 B4 138.23(8) . . . . ?
B10 B5 B9 B8 100.30(9) . . . . ?
B10 B5 B9 B12 36.99(8) . . . . ?
B10 B6 B11 C2 -131.06(8) . . . . ?
B10 B6 B11 B7 -101.36(8) . . . . ?
B10 B6 B11 B12 -38.78(8) . . . . ?
B10 B9 B12 B7 101.54(8) . . . . ?
B10 B9 B12 B8 142.87(8) . . . . ?
B10 B9 B12 B11 37.56(8) . . . . ?
B10 B11 B12 B7 -136.26(8) . . . . ?
B10 B11 B12 B8 -100.56(9) . . . . ?
B10 B11 B12 B9 -37.54(8) . . . . ?
B11 C2 C3 C4 -129.46(9) . . . . ?
B11 C2 B6 C1 139.63(8) . . . . ?
B11 C2 B6 B5 104.11(8) . . . . ?
B11 C2 B6 B10 42.35(7) . . . . ?
B11 C2 B7 B8 -103.20(8) . . . . ?
B11 C2 B7 B12 -40.14(7) . . . . ?
B11 B6 B10 B5 139.00(8) . . . . ?
B11 B6 B10 B9 101.08(8) . . . . ?
B11 B6 B10 B12 37.34(8) . . . . ?
B11 B7 B8 B4 -67.29(10) . . . . ?
B11 B7 B8 B9 -6.89(11) . . . . ?
B11 B7 B8 B12 34.37(8) . . . . ?
B11 B7 B12 B8 -141.84(8) . . . . ?
B11 B7 B12 B9 -101.59(8) . . . . ?
B11 B7 B12 B10 -38.87(8) . . . . ?
B11 B10 B12 B7 39.40(8) . . . . ?
B11 B10 B12 B8 104.43(9) . . . . ?
B11 B10 B12 B9 137.76(8) . . . . ?
B12 B7 B8 B4 -101.66(8) . . . . ?
B12 B7 B8 B9 -41.26(8) . . . . ?
B12 B7 B11 C2 133.99(8) . . . . ?
B12 B7 B11 B6 102.51(9) . . . . ?
B12 B7 B11 B10 39.39(8) . . . . ?
B12 B8 B9 B4 -134.50(8) . . . . ?
B12 B8 B9 B5 -97.20(9) . . . . ?
B12 B8 B9 B10 -33.43(8) . . . . ?
B12 B9 B10 B5 -137.98(8) . . . . ?
B12 B9 B10 B6 -99.90(8) . . . . ?
B12 B9 B10 B11 -37.23(8) . . . . ?
B12 B10 B11 C2 -95.46(8) . . . . ?
B12 B10 B11 B6 -137.29(8) . . . . ?
B12 B10 B11 B7 -38.67(8) . . . . ?
C21 C22 C23 C24 -61.07(12) . . . . ?
C21 C22 B26 B25 35.29(8) . . . . ?
C21 C22 B26 B30 97.46(10) . . . . ?
C21 C22 B26 B31 139.19(9) . . . . ?
C21 C22 B27 B28 -1.96(11) . . . . ?
C21 C22 B27 B31 -104.23(9) . . . . ?
C21 C22 B27 B32 -64.60(11) . . . . ?
C21 C22 B31 B26 -38.59(9) . . . . ?
C21 C22 B31 B27 105.19(9) . . . . ?
C21 C22 B31 B30 3.23(12) . . . . ?
C21 C22 B31 B32 66.22(10) . . . . ?
C21 B24 B25 B26 -30.93(9) . . . . ?
C21 B24 B25 B29 -133.05(9) . . . . ?
C21 B24 B25 B30 -94.26(10) . . . . ?
C21 B24 B28 B27 -3.96(11) . . . . ?
C21 B24 B28 B29 97.62(10) . . . . ?
C21 B24 B28 B32 56.36(11) . . . . ?
C21 B24 B29 B25 40.82(9) . . . . ?
C21 B24 B29 B28 -99.93(10) . . . . ?
C21 B24 B29 B30 2.86(12) . . . . ?
C21 B24 B29 B32 -59.63(12) . . . . ?
C21 B25 B26 C22 -32.92(7) . . . . ?
C21 B25 B26 B30 -131.42(9) . . . . ?
C21 B25 B26 B31 -93.93(9) . . . . ?
C21 B25 B29 B24 -37.88(8) . . . . ?
C21 B25 B29 B28 -0.70(12) . . . . ?
C21 B25 B29 B30 99.49(9) . . . . ?
C21 B25 B29 B32 62.28(11) . . . . ?
C21 B25 B30 B26 41.67(9) . . . . ?
C21 B25 B30 B29 -95.89(10) . . . . ?
C21 B25 B30 B31 4.48(13) . . . . ?
C21 B25 B30 B32 -57.77(12) . . . . ?
C21 B26 B30 B25 -41.59(8) . . . . ?
C21 B26 B30 B29 -4.43(11) . . . . ?
C21 B26 B30 B31 96.66(9) . . . . ?
C21 B26 B30 B32 59.52(11) . . . . ?
C21 B26 B31 C22 32.76(7) . . . . ?
C21 B26 B31 B27 2.51(11) . . . . ?
C21 B26 B31 B30 -99.00(10) . . . . ?
C21 B26 B31 B32 -60.40(10) . . . . ?
N22 C25 C26 N21 -0.06(13) . . . . ?
C22 C21 B24 B25 104.77(9) . . . . ?
C22 C21 B24 B28 3.23(12) . . . . ?
C22 C21 B24 B29 64.46(11) . . . . ?
C22 C21 B25 B24 -105.83(10) . . . . ?
C22 C21 B25 B26 39.35(9) . . . . ?
C22 C21 B25 B29 -65.59(11) . . . . ?
C22 C21 B25 B30 -2.62(13) . . . . ?
C22 C21 B26 B25 -139.05(9) . . . . ?
C22 C21 B26 B30 -96.87(9) . . . . ?
C22 C21 B26 B31 -34.92(8) . . . . ?
C22 C23 C24 N22 -60.61(12) . . . . ?
C22 B26 B30 B25 -97.25(9) . . . . ?
C22 B26 B30 B29 -60.09(10) . . . . ?
C22 B26 B30 B31 41.01(8) . . . . ?
C22 B26 B30 B32 3.86(11) . . . . ?
C22 B26 B31 B27 -30.26(8) . . . . ?
C22 B26 B31 B30 -131.76(9) . . . . ?
C22 B26 B31 B32 -93.17(9) . . . . ?
C22 B27 B28 B24 3.57(11) . . . . ?
C22 B27 B28 B29 -56.85(11) . . . . ?
C22 B27 B28 B32 -98.47(9) . . . . ?
C22 B27 B31 B26 32.22(8) . . . . ?
C22 B27 B31 B30 95.30(9) . . . . ?
C22 B27 B31 B32 134.53(9) . . . . ?
C22 B27 B32 B28 101.54(9) . . . . ?
C22 B27 B32 B29 60.99(11) . . . . ?
C22 B27 B32 B30 -1.68(12) . . . . ?
C22 B27 B32 B31 -40.22(8) . . . . ?
C22 B31 B32 B27 36.57(7) . . . . ?
C22 B31 B32 B28 0.61(11) . . . . ?
C22 B31 B32 B29 -62.48(10) . . . . ?
C22 B31 B32 B30 -100.06(9) . . . . ?
C23 C22 B26 C21 110.31(10) . . . . ?
C23 C22 B26 B25 145.60(9) . . . . ?
C23 C22 B26 B30 -152.23(9) . . . . ?
C23 C22 B26 B31 -110.50(10) . . . . ?
C23 C22 B27 B28 -148.52(9) . . . . ?
C23 C22 B27 B31 109.20(10) . . . . ?
C23 C22 B27 B32 148.83(9) . . . . ?
C23 C22 B31 B26 103.29(10) . . . . ?
C23 C22 B31 B27 -112.92(10) . . . . ?
C23 C22 B31 B30 145.11(10) . . . . ?
C23 C22 B31 B32 -151.90(9) . . . . ?
C24 N22 C25 C26 178.06(10) . . . . ?
C24 N22 C27 N21 -178.28(9) . . . . ?
B24 C21 C22 C23 146.78(9) . . . . ?
B24 C21 C22 B26 -109.21(10) . . . . ?
B24 C21 C22 B27 -0.88(12) . . . . ?
B24 C21 C22 B31 -71.15(11) . . . . ?
B24 C21 B25 B26 145.18(10) . . . . ?
B24 C21 B25 B29 40.24(9) . . . . ?
B24 C21 B25 B30 103.21(10) . . . . ?
B24 C21 B26 C22 103.87(10) . . . . ?
B24 C21 B26 B25 -35.17(10) . . . . ?
B24 C21 B26 B30 7.01(12) . . . . ?
B24 C21 B26 B31 68.95(12) . . . . ?
B24 B25 B26 C21 29.43(8) . . . . ?
B24 B25 B26 C22 -3.49(11) . . . . ?
B24 B25 B26 B30 -101.99(10) . . . . ?
B24 B25 B26 B31 -64.50(11) . . . . ?
B24 B25 B29 B28 37.18(9) . . . . ?
B24 B25 B29 B30 137.37(9) . . . . ?
B24 B25 B29 B32 100.16(10) . . . . ?
B24 B25 B30 B26 99.35(10) . . . . ?
B24 B25 B30 B29 -38.21(9) . . . . ?
B24 B25 B30 B31 62.17(12) . . . . ?
B24 B25 B30 B32 -0.08(12) . . . . ?
B24 B28 B29 B25 -36.66(9) . . . . ?
B24 B28 B29 B30 -100.84(10) . . . . ?
B24 B28 B29 B32 -133.87(10) . . . . ?
B24 B28 B32 B27 -93.45(9) . . . . ?
B24 B28 B32 B29 39.88(8) . . . . ?
B24 B28 B32 B30 6.62(12) . . . . ?
B24 B28 B32 B31 -57.77(11) . . . . ?
B24 B29 B30 B25 38.56(9) . . . . ?
B24 B29 B30 B26 1.12(12) . . . . ?
B24 B29 B30 B31 -61.84(12) . . . . ?
B24 B29 B30 B32 -99.18(10) . . . . ?
B24 B29 B32 B27 -0.07(13) . . . . ?
B24 B29 B32 B28 -41.82(9) . . . . ?
B24 B29 B32 B30 101.45(10) . . . . ?
B24 B29 B32 B31 63.83(12) . . . . ?
C25 N22 C24 C23 -65.03(13) . . . . ?
C25 N22 C27 N21 -0.46(12) . . . . ?
B25 C21 C22 C23 -142.46(9) . . . . ?
B25 C21 C22 B26 -38.45(9) . . . . ?
B25 C21 C22 B27 69.88(11) . . . . ?
B25 C21 C22 B31 -0.39(12) . . . . ?
B25 C21 B24 B28 -101.54(10) . . . . ?
B25 C21 B24 B29 -40.31(8) . . . . ?
B25 C21 B26 C22 139.05(9) . . . . ?
B25 C21 B26 B30 42.18(8) . . . . ?
B25 C21 B26 B31 104.12(10) . . . . ?
B25 B24 B28 B27 -66.89(10) . . . . ?
B25 B24 B28 B29 34.70(9) . . . . ?
B25 B24 B28 B32 -6.57(11) . . . . ?
B25 B24 B29 B28 -140.74(9) . . . . ?
B25 B24 B29 B30 -37.95(9) . . . . ?
B25 B24 B29 B32 -100.45(10) . . . . ?
B25 B26 B30 B29 37.15(9) . . . . ?
B25 B26 B30 B31 138.25(10) . . . . ?
B25 B26 B30 B32 101.10(10) . . . . ?
B25 B26 B31 C22 94.18(9) . . . . ?
B25 B26 B31 B27 63.93(11) . . . . ?
B25 B26 B31 B30 -37.58(9) . . . . ?
B25 B26 B31 B32 1.02(11) . . . . ?
B25 B29 B30 B26 -37.43(8) . . . . ?
B25 B29 B30 B31 -100.39(10) . . . . ?
B25 B29 B30 B32 -137.74(9) . . . . ?
B25 B29 B32 B27 -64.15(12) . . . . ?
B25 B29 B32 B28 -105.90(10) . . . . ?
B25 B29 B32 B30 37.37(9) . . . . ?
B25 B29 B32 B31 -0.25(12) . . . . ?
B25 B30 B31 C22 -4.71(13) . . . . ?
B25 B30 B31 B26 37.09(9) . . . . ?
B25 B30 B31 B27 -61.95(12) . . . . ?
B25 B30 B31 B32 -100.49(11) . . . . ?
B25 B30 B32 B27 61.26(12) . . . . ?
B25 B30 B32 B28 -4.20(12) . . . . ?
B25 B30 B32 B29 -37.27(9) . . . . ?
B25 B30 B32 B31 100.33(10) . . . . ?
C26 N21 C27 N22 0.42(12) . . . . ?
C26 N21 C28 C29 68.64(15) . . . . ?
C26 N21 C28 C30 -51.35(15) . . . . ?
C26 N21 C28 C31 -170.09(12) . . . . ?
B26 C21 C22 C23 -104.01(10) . . . . ?
B26 C21 C22 B27 108.33(9) . . . . ?
B26 C21 C22 B31 38.06(9) . . . . ?
B26 C21 B24 B25 34.04(9) . . . . ?
B26 C21 B24 B28 -67.51(12) . . . . ?
B26 C21 B24 B29 -6.27(13) . . . . ?
B26 C21 B25 B24 -145.18(10) . . . . ?
B26 C21 B25 B29 -104.95(10) . . . . ?
B26 C21 B25 B30 -41.97(9) . . . . ?
B26 C22 C23 C24 -131.49(9) . . . . ?
B26 C22 B27 B28 67.19(11) . . . . ?
B26 C22 B27 B31 -35.09(9) . . . . ?
B26 C22 B27 B32 4.54(12) . . . . ?
B26 C22 B31 B27 143.79(9) . . . . ?
B26 C22 B31 B30 41.82(9) . . . . ?
B26 C22 B31 B32 104.81(9) . . . . ?
B26 B25 B29 B24 -99.28(9) . . . . ?
B26 B25 B29 B28 -62.10(13) . . . . ?
B26 B25 B29 B30 38.09(9) . . . . ?
B26 B25 B29 B32 0.88(12) . . . . ?
B26 B25 B30 B29 -137.56(9) . . . . ?
B26 B25 B30 B31 -37.19(9) . . . . ?
B26 B25 B30 B32 -99.44(10) . . . . ?
B26 B30 B31 C22 -41.80(8) . . . . ?
B26 B30 B31 B27 -99.04(9) . . . . ?
B26 B30 B31 B32 -137.58(9) . . . . ?
B26 B30 B32 B27 -1.52(12) . . . . ?
B26 B30 B32 B28 -66.98(12) . . . . ?
B26 B30 B32 B29 -100.05(10) . . . . ?
B26 B30 B32 B31 37.55(9) . . . . ?
B26 B31 B32 B27 98.58(9) . . . . ?
B26 B31 B32 B28 62.62(11) . . . . ?
B26 B31 B32 B29 -0.47(11) . . . . ?
B26 B31 B32 B30 -38.05(8) . . . . ?
C27 N21 C26 C25 -0.21(13) . . . . ?
C27 N21 C28 C29 -111.49(13) . . . . ?
C27 N21 C28 C30 128.53(12) . . . . ?
C27 N21 C28 C31 9.78(16) . . . . ?
C27 N22 C24 C23 112.37(11) . . . . ?
C27 N22 C25 C26 0.32(12) . . . . ?
B27 C22 C23 C24 83.66(12) . . . . ?
B27 C22 B26 C21 -102.91(10) . . . . ?
B27 C22 B26 B25 -67.62(11) . . . . ?
B27 C22 B26 B30 -5.45(12) . . . . ?
B27 C22 B26 B31 36.28(9) . . . . ?
B27 C22 B31 B26 -143.79(9) . . . . ?
B27 C22 B31 B30 -101.97(10) . . . . ?
B27 C22 B31 B32 -38.97(8) . . . . ?
B27 B28 B29 B24 93.71(9) . . . . ?
B27 B28 B29 B25 57.05(12) . . . . ?
B27 B28 B29 B30 -7.13(12) . . . . ?
B27 B28 B29 B32 -40.16(8) . . . . ?
B27 B28 B32 B29 133.33(9) . . . . ?
B27 B28 B32 B30 100.07(10) . . . . ?
B27 B28 B32 B31 35.68(9) . . . . ?
B27 B31 B32 B28 -35.96(9) . . . . ?
B27 B31 B32 B29 -99.05(10) . . . . ?
B27 B31 B32 B30 -136.63(9) . . . . ?
C28 N21 C26 C25 179.68(10) . . . . ?
C28 N21 C27 N22 -179.47(9) . . . . ?
B28 B24 B25 C21 98.40(9) . . . . ?
B28 B24 B25 B26 67.47(11) . . . . ?
B28 B24 B25 B29 -34.65(8) . . . . ?
B28 B24 B25 B30 4.14(12) . . . . ?
B28 B24 B29 B25 140.74(9) . . . . ?
B28 B24 B29 B30 102.79(10) . . . . ?
B28 B24 B29 B32 40.29(9) . . . . ?
B28 B27 B31 C22 -100.11(9) . . . . ?
B28 B27 B31 B26 -67.89(11) . . . . ?
B28 B27 B31 B30 -4.81(12) . . . . ?
B28 B27 B31 B32 34.42(9) . . . . ?
B28 B27 B32 B29 -40.55(9) . . . . ?
B28 B27 B32 B30 -103.22(10) . . . . ?
B28 B27 B32 B31 -141.76(9) . . . . ?
B28 B29 B30 B25 104.76(10) . . . . ?
B28 B29 B30 B26 67.33(11) . . . . ?
B28 B29 B30 B31 4.37(12) . . . . ?
B28 B29 B30 B32 -32.98(9) . . . . ?
B28 B29 B32 B27 41.75(9) . . . . ?
B28 B29 B32 B30 143.26(9) . . . . ?
B28 B29 B32 B31 105.65(10) . . . . ?
B29 B24 B25 C21 133.05(9) . . . . ?
B29 B24 B25 B26 102.12(10) . . . . ?
B29 B24 B25 B30 38.80(9) . . . . ?
B29 B24 B28 B27 -101.59(10) . . . . ?
B29 B24 B28 B32 -41.26(9) . . . . ?
B29 B25 B26 C21 92.75(10) . . . . ?
B29 B25 B26 C22 59.83(11) . . . . ?
B29 B25 B26 B30 -38.67(9) . . . . ?
B29 B25 B26 B31 -1.18(12) . . . . ?
B29 B25 B30 B26 137.56(9) . . . . ?
B29 B25 B30 B31 100.37(10) . . . . ?
B29 B25 B30 B32 38.12(9) . . . . ?
B29 B28 B32 B27 -133.33(9) . . . . ?
B29 B28 B32 B30 -33.26(9) . . . . ?
B29 B28 B32 B31 -97.65(10) . . . . ?
B29 B30 B31 C22 57.56(11) . . . . ?
B29 B30 B31 B26 99.36(10) . . . . ?
B29 B30 B31 B27 0.33(12) . . . . ?
B29 B30 B31 B32 -38.22(9) . . . . ?
B29 B30 B32 B27 98.53(10) . . . . ?
B29 B30 B32 B28 33.07(9) . . . . ?
B29 B30 B32 B31 137.59(9) . . . . ?
B30 B25 B26 C21 131.42(9) . . . . ?
B30 B25 B26 C22 98.50(9) . . . . ?
B30 B25 B26 B31 37.49(9) . . . . ?
B30 B25 B29 B24 -137.37(9) . . . . ?
B30 B25 B29 B28 -100.19(10) . . . . ?
B30 B25 B29 B32 -37.21(8) . . . . ?
B30 B26 B31 C22 131.76(9) . . . . ?
B30 B26 B31 B27 101.51(10) . . . . ?
B30 B26 B31 B32 38.60(9) . . . . ?
B30 B29 B32 B27 -101.51(10) . . . . ?
B30 B29 B32 B28 -143.26(9) . . . . ?
B30 B29 B32 B31 -37.62(8) . . . . ?
B30 B31 B32 B27 136.63(9) . . . . ?
B30 B31 B32 B28 100.67(10) . . . . ?
B30 B31 B32 B29 37.58(8) . . . . ?
B31 C22 C23 C24 159.44(9) . . . . ?
B31 C22 B26 C21 -139.19(9) . . . . ?
B31 C22 B26 B25 -103.90(10) . . . . ?
B31 C22 B26 B30 -41.73(8) . . . . ?
B31 C22 B27 B28 102.27(9) . . . . ?
B31 C22 B27 B32 39.63(8) . . . . ?
B31 B26 B30 B25 -138.25(10) . . . . ?
B31 B26 B30 B29 -101.10(10) . . . . ?
B31 B26 B30 B32 -37.15(8) . . . . ?
B31 B27 B28 B24 67.75(11) . . . . ?
B31 B27 B28 B29 7.34(12) . . . . ?
B31 B27 B28 B32 -34.28(9) . . . . ?
B31 B27 B32 B28 141.76(9) . . . . ?
B31 B27 B32 B29 101.21(10) . . . . ?
B31 B27 B32 B30 38.54(9) . . . . ?
B31 B30 B32 B27 -39.07(8) . . . . ?
B31 B30 B32 B28 -104.53(10) . . . . ?
B31 B30 B32 B29 -137.59(9) . . . . ?
B32 B27 B28 B24 102.04(10) . . . . ?
B32 B27 B28 B29 41.62(9) . . . . ?
B32 B27 B31 C22 -134.53(9) . . . . ?
B32 B27 B31 B26 -102.31(10) . . . . ?
B32 B27 B31 B30 -39.23(9) . . . . ?
B32 B28 B29 B24 133.87(9) . . . . ?
B32 B28 B29 B25 97.22(11) . . . . ?
B32 B28 B29 B30 33.03(9) . . . . ?
B32 B29 B30 B25 137.74(9) . . . . ?
B32 B29 B30 B26 100.30(9) . . . . ?
B32 B29 B30 B31 37.34(8) . . . . ?
B32 B30 B31 C22 95.78(9) . . . . ?
B32 B30 B31 B26 137.58(9) . . . . ?
B32 B30 B31 B27 38.55(9) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Complex-3
_database_code_depnum_ccdc_archive 'CCDC 1444074'
_audit_update_record             
;
2015-12-23 deposited with the CCDC.
2016-04-12 downloaded from the CCDC.
;
_audit_creation_date             2015-09-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C29 H52 B9 N3 Rh2, C2 H3 N'
_chemical_formula_sum            'C31 H55 B9 N4 Rh2'
_chemical_formula_weight         786.90
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C248 H440 B72 N32 Rh16 '
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'
B B 0.0013 0.0007 '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'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, -y, z+1/2'
3 'x+1/2, -y+1/2, -z'
4 '-x, y+1/2, -z+1/2'
5 '-x, -y, -z'
6 'x-1/2, y, -z-1/2'
7 '-x-1/2, y-1/2, z'
8 'x, -y-1/2, z-1/2'

_cell_length_a                   11.9249(5)
_cell_length_b                   23.7834(11)
_cell_length_c                   25.2349(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     7157.0(6)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    7857
_cell_measurement_temperature    120.00(11)
_cell_measurement_theta_max      30.5930
_cell_measurement_theta_min      3.6920
_exptl_absorpt_coefficient_mu    0.951
_exptl_absorpt_correction_T_max  0.953
_exptl_absorpt_correction_T_min  0.897
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
'CrysAlisPro, Agilent Technologies, Version 1.171.36.28e (release 10-06-2013 CrysAlis171 .NET) (compiled Jun 10 2013,11:58:50) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)'
_exptl_crystal_density_diffrn    1.461
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3232
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.07
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0852
_diffrn_reflns_av_unetI/netI     0.0673
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            43820
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         3.23
_diffrn_ambient_temperature      120.00(11)
_diffrn_detector_area_resol_mean 5.3095
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   17.00   53.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -13.7322   37.0000  150.0000 36

#__ type_ start__ end____ width___ exp.time_
  2 omega  -41.00    8.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -13.7322   19.0000   30.0000 49

#__ type_ start__ end____ width___ exp.time_
  3 omega  -15.00   20.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -13.7322  -19.0000  120.0000 35

#__ type_ start__ end____ width___ exp.time_
  4 omega  -83.00  -20.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -13.7322  -37.0000  -30.0000 63

#__ type_ start__ end____ width___ exp.time_
  5 omega  -34.00   14.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -      -13.7322   37.0000  150.0000 48
;
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0084254000
_diffrn_orient_matrix_UB_12      0.0207783000
_diffrn_orient_matrix_UB_13      -0.0197725000
_diffrn_orient_matrix_UB_21      -0.0548604000
_diffrn_orient_matrix_UB_22      0.0104672000
_diffrn_orient_matrix_UB_23      0.0045945000
_diffrn_orient_matrix_UB_31      0.0213550000
_diffrn_orient_matrix_UB_32      0.0186764000
_diffrn_orient_matrix_UB_33      0.0194339000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                6795
_reflns_number_total             8855
_reflns_odcompleteness_completeness 99.72
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     28.22
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
'CrysAlisPro, Agilent Technologies, Version 1.171.36.28e (release 10-06-2013 CrysAlis171 .NET) (compiled Jun 10 2013,11:58:50)'
_computing_data_collection       
'CrysAlisPro, Agilent Technologies, Version 1.171.36.28e (release 10-06-2013 CrysAlis171 .NET) (compiled Jun 10 2013,11:58:50)'
_computing_data_reduction        
'CrysAlisPro, Agilent Technologies, Version 1.171.36.28e (release 10-06-2013 CrysAlis171 .NET) (compiled Jun 10 2013,11:58:50)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         2.149
_refine_diff_density_min         -1.547
_refine_diff_density_rms         0.117
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     420
_refine_ls_number_reflns         8855
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0741
_refine_ls_R_factor_gt           0.0505
_refine_ls_restrained_S_all      1.041
_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)+(0.0218P)²+14.2129P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0905
_refine_ls_wR_factor_ref         0.0997
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C12(H12A), C13(H13), C16(H16), C17(H17), C22(H22), C25(H25), C26(H26), C29(H29)
2.b Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C4(H4A,H4B), C14(H14A,H14B), C15(H15A,H15B), C18(H18A,H18B),
 C19(H19A,H19B), C23(H23A,H23B), C24(H24A,H24B), C27(H27A,H27B), C28(H28A,H28B)
2.c Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6)
2.d Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C21(H21A,H21B,
 H21C), C32(H32A,H32B,H32C)
2.e Boron cage BH refined with riding coordinates:
 C1(H1), B4(H4), B8(H8), B7(H7), B6(H6A), B5(H5A), B9(H9), B12(H12), B11(H11),
 B10(H10)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
Rh1 Rh 0.48032(2) 0.497403(13) 0.139650(11) 0.02114(9) Uani 1 d . . .
N1 N 0.2408(2) 0.46615(12) 0.09695(12) 0.0176(6) Uani 1 d . . .
C1 C 0.6487(3) 0.25557(16) 0.04336(14) 0.0223(8) Uani 1 d . . .
H1 H 0.5783 0.2311 0.0271 0.027 Uiso 1 calc . . R
Rh2 Rh 0.63282(2) 0.241522(12) 0.130465(10) 0.01470(8) Uani 1 d . . .
N2 N 0.3709(3) 0.41548(14) 0.06435(13) 0.0265(8) Uani 1 d . . .
C2 C 0.6221(3) 0.31498(15) 0.07107(15) 0.0204(8) Uani 1 d . . .
N3 N 0.4441(3) 0.44413(15) 0.20149(13) 0.0301(8) Uani 1 d . . .
C3 C 0.5016(3) 0.33727(17) 0.07622(19) 0.0316(10) Uani 1 d . . .
H3A H 0.4508 0.3096 0.0613 0.038 Uiso 1 calc . . R
H3B H 0.4838 0.3409 0.1136 0.038 Uiso 1 calc . . R
C4 C 0.4807(4) 0.3915(2) 0.0504(2) 0.0438(13) Uani 1 d . . .
H4A H 0.4845 0.3866 0.0122 0.053 Uiso 1 calc . . R
H4B H 0.5391 0.4178 0.0605 0.053 Uiso 1 calc . . R
B4 B 0.7633(4) 0.22024(18) 0.06954(16) 0.0191(9) Uani 1 d . . .
H4 H 0.7755 0.1744 0.0705 0.023 Uiso 1 calc . . R
C5 C 0.2723(4) 0.39514(18) 0.04430(16) 0.0304(10) Uani 1 d . . .
H5 H 0.2637 0.3648 0.0214 0.037 Uiso 1 calc . . R
B8 B 0.8162(3) 0.26554(18) 0.11981(15) 0.0170(8) Uani 1 d . . .
H8 H 0.8656 0.2510 0.1540 0.020 Uiso 1 calc . . R
C6 C 0.1914(3) 0.42708(17) 0.06385(15) 0.0250(9) Uani 1 d . . .
H6 H 0.1152 0.4238 0.0566 0.030 Uiso 1 calc . . R
B7 B 0.7174(3) 0.32351(18) 0.12079(16) 0.0181(9) Uani 1 d . . .
H7 H 0.6979 0.3469 0.1573 0.022 Uiso 1 calc . . R
C7 C 0.3533(3) 0.45932(15) 0.09746(15) 0.0191(8) Uani 1 d . . .
B6 B 0.6823(4) 0.31626(19) 0.00894(17) 0.0253(10) Uani 1 d . . .
H6A H 0.6404 0.3320 -0.0269 0.030 Uiso 1 calc . . R
C8 C 0.1739(3) 0.51183(17) 0.12269(17) 0.0271(9) Uani 1 d . . .
B5 B 0.7692(4) 0.25704(19) 0.00820(16) 0.0255(10) Uani 1 d . . .
H5A H 0.7821 0.2337 -0.0289 0.031 Uiso 1 calc . . R
C9 C 0.0636(4) 0.4877(2) 0.1414(2) 0.0492(14) Uani 1 d . . .
H9A H 0.0207 0.4753 0.1114 0.074 Uiso 1 calc . . GR
H9B H 0.0224 0.5160 0.1602 0.074 Uiso 1 calc . . GR
H9C H 0.0775 0.4564 0.1645 0.074 Uiso 1 calc . . GR
B9 B 0.8769(4) 0.26616(19) 0.05535(16) 0.0219(9) Uani 1 d . . .
H9 H 0.9623 0.2502 0.0487 0.026 Uiso 1 calc . . R
C10 C 0.2340(4) 0.5352(2) 0.17114(18) 0.0404(12) Uani 1 d . . .
H10A H 0.2433 0.5058 0.1969 0.061 Uiso 1 calc . . GR
H10B H 0.1903 0.5651 0.1862 0.061 Uiso 1 calc . . GR
H10C H 0.3062 0.5493 0.1609 0.061 Uiso 1 calc . . GR
B12 B 0.8505(3) 0.33010(19) 0.08865(16) 0.0188(9) Uani 1 d . . .
H12 H 0.9181 0.3563 0.1051 0.023 Uiso 1 calc . . R
C11 C 0.1559(5) 0.5578(2) 0.0821(2) 0.0527(15) Uani 1 d . . .
H11A H 0.2271 0.5725 0.0711 0.079 Uiso 1 calc . . GR
H11B H 0.1119 0.5874 0.0975 0.079 Uiso 1 calc . . GR
H11C H 0.1171 0.5426 0.0520 0.079 Uiso 1 calc . . GR
B11 B 0.7299(4) 0.36065(19) 0.05928(17) 0.0208(9) Uani 1 d . . .
H11 H 0.7193 0.4065 0.0568 0.025 Uiso 1 calc . . R
C12 C 0.5805(3) 0.55469(18) 0.18899(15) 0.0262(9) Uani 1 d . . .
H12A H 0.5582 0.5552 0.2264 0.031 Uiso 1 calc . . R
B10 B 0.8269(4) 0.3245(2) 0.01894(18) 0.0257(10) Uani 1 d . . .
H10 H 0.8800 0.3462 -0.0103 0.031 Uiso 1 calc . . R
C13 C 0.6461(3) 0.50918(18) 0.17522(15) 0.0258(9) Uani 1 d . . .
H13 H 0.6626 0.4835 0.2046 0.031 Uiso 1 calc . . R
C14 C 0.7324(3) 0.50864(17) 0.13158(16) 0.0267(9) Uani 1 d . . .
H14A H 0.7537 0.4701 0.1243 0.032 Uiso 1 calc . . R
H14B H 0.7988 0.5285 0.1435 0.032 Uiso 1 calc . . R
C15 C 0.6900(3) 0.53584(18) 0.08028(16) 0.0274(9) Uani 1 d . . .
H15A H 0.7081 0.5756 0.0809 0.033 Uiso 1 calc . . R
H15B H 0.7292 0.5192 0.0505 0.033 Uiso 1 calc . . R
C16 C 0.5652(3) 0.52921(17) 0.07189(14) 0.0229(8) Uani 1 d . . .
H16 H 0.5459 0.5095 0.0390 0.027 Uiso 1 calc . . R
C17 C 0.4842(3) 0.56756(17) 0.08801(14) 0.0228(8) Uani 1 d . . .
H17 H 0.4195 0.5699 0.0642 0.027 Uiso 1 calc . . R
C18 C 0.5047(3) 0.62051(17) 0.11950(16) 0.0269(9) Uani 1 d . . .
H18A H 0.4342 0.6332 0.1345 0.032 Uiso 1 calc . . R
H18B H 0.5317 0.6496 0.0958 0.032 Uiso 1 calc . . R
C19 C 0.5898(4) 0.61233(18) 0.16439(15) 0.0281(9) Uani 1 d . . .
H19A H 0.6650 0.6174 0.1506 0.034 Uiso 1 calc . . R
H19B H 0.5773 0.6406 0.1914 0.034 Uiso 1 calc . . R
C20 C 0.4223(3) 0.41579(18) 0.23597(16) 0.0267(9) Uani 1 d . . .
C21 C 0.3930(4) 0.37945(19) 0.27986(16) 0.0351(11) Uani 1 d . . .
H21A H 0.3201 0.3635 0.2739 0.053 Uiso 1 calc . . GR
H21B H 0.3921 0.4009 0.3121 0.053 Uiso 1 calc . . GR
H21C H 0.4473 0.3498 0.2827 0.053 Uiso 1 calc . . GR
C22 C 0.5828(3) 0.15621(16) 0.14433(16) 0.0249(9) Uani 1 d . . .
H22 H 0.6165 0.1292 0.1197 0.030 Uiso 1 calc . . R
C23 C 0.5886(4) 0.13831(18) 0.20186(17) 0.0313(10) Uani 1 d . . .
H23A H 0.6266 0.1024 0.2043 0.038 Uiso 1 calc . . R
H23B H 0.5132 0.1336 0.2155 0.038 Uiso 1 calc . . R
C24 C 0.6506(3) 0.18134(18) 0.23548(15) 0.0275(9) Uani 1 d . . .
H24A H 0.6206 0.1805 0.2712 0.033 Uiso 1 calc . . R
H24B H 0.7292 0.1710 0.2373 0.033 Uiso 1 calc . . R
C25 C 0.6411(3) 0.24022(17) 0.21399(14) 0.0223(8) Uani 1 d . . .
H25 H 0.6965 0.2663 0.2287 0.027 Uiso 1 calc . . R
C26 C 0.5400(3) 0.26635(17) 0.19870(14) 0.0225(8) Uani 1 d . . .
H26 H 0.5387 0.3071 0.2047 0.027 Uiso 1 calc . . R
C27 C 0.4262(3) 0.23817(19) 0.20417(17) 0.0322(10) Uani 1 d . . .
H27A H 0.3701 0.2664 0.2122 0.039 Uiso 1 calc . . R
H27B H 0.4285 0.2118 0.2335 0.039 Uiso 1 calc . . R
C28 C 0.3930(3) 0.2071(2) 0.15367(18) 0.0346(11) Uani 1 d . . .
H28A H 0.3463 0.1751 0.1629 0.042 Uiso 1 calc . . R
H28B H 0.3489 0.2320 0.1315 0.042 Uiso 1 calc . . R
C29 C 0.4934(3) 0.18655(18) 0.12266(17) 0.0270(9) Uani 1 d . . .
H29 H 0.4761 0.1764 0.0859 0.032 Uiso 1 calc . . R
N4 N 0.1925(5) 0.3668(3) 0.1959(2) 0.090(2) Uani 1 d . . .
C31 C 0.1647(4) 0.3301(3) 0.1705(3) 0.0582(18) Uani 1 d . . .
C32 C 0.1278(4) 0.2833(3) 0.1391(2) 0.0567(16) Uani 1 d . . .
H32A H 0.1531 0.2881 0.1033 0.085 Uiso 1 calc . . GR
H32B H 0.0474 0.2815 0.1397 0.085 Uiso 1 calc . . GR
H32C H 0.1582 0.2492 0.1534 0.085 Uiso 1 calc . . GR


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
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 N3 2.056(3) . ?
Rh1 C7 2.061(4) . ?
Rh1 C12 2.198(4) . ?
Rh1 C13 2.189(4) . ?
Rh1 C16 2.126(4) . ?
Rh1 C17 2.118(4) . ?
N1 C6 1.381(5) . ?
N1 C7 1.351(5) . ?
N1 C8 1.496(5) . ?
C1 H1 1.1000 . ?
C1 Rh2 2.231(4) . ?
C1 C2 1.608(5) . ?
C1 B4 1.735(6) . ?
C1 B6 1.731(6) . ?
C1 B5 1.689(6) . ?
Rh2 C2 2.306(4) . ?
Rh2 B4 2.245(4) . ?
Rh2 B8 2.276(4) . ?
Rh2 B7 2.209(4) . ?
Rh2 C22 2.144(4) . ?
Rh2 C25 2.110(3) . ?
Rh2 C26 2.130(4) . ?
Rh2 C29 2.124(4) . ?
N2 C4 1.471(5) . ?
N2 C5 1.369(5) . ?
N2 C7 1.353(5) . ?
C2 C3 1.537(5) . ?
C2 B7 1.706(5) . ?
C2 B6 1.725(6) . ?
C2 B11 1.710(6) . ?
N3 C20 1.131(5) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 C4 1.467(6) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
B4 H4 1.1000 . ?
B4 B8 1.780(6) . ?
B4 B5 1.780(6) . ?
B4 B9 1.777(6) . ?
C5 H5 0.9300 . ?
C5 C6 1.323(6) . ?
B8 H8 1.1000 . ?
B8 B7 1.813(6) . ?
B8 B9 1.781(6) . ?
B8 B12 1.773(6) . ?
C6 H6 0.9300 . ?
B7 H7 1.1000 . ?
B7 B12 1.789(6) . ?
B7 B11 1.792(6) . ?
B6 H6A 1.1000 . ?
B6 B5 1.748(7) . ?
B6 B11 1.747(6) . ?
B6 B10 1.753(7) . ?
C8 C9 1.511(6) . ?
C8 C10 1.522(6) . ?
C8 C11 1.513(6) . ?
B5 H5A 1.1000 . ?
B5 B9 1.764(6) . ?
B5 B10 1.767(7) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
B9 H9 1.1000 . ?
B9 B12 1.766(6) . ?
B9 B10 1.768(6) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
B12 H12 1.1000 . ?
B12 B11 1.773(6) . ?
B12 B10 1.787(6) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
B11 H11 1.1000 . ?
B11 B10 1.763(6) . ?
C12 H12A 0.9800 . ?
C12 C13 1.380(6) . ?
C12 C19 1.509(6) . ?
B10 H10 1.1000 . ?
C13 H13 0.9800 . ?
C13 C14 1.507(6) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 C15 1.533(6) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C16 1.512(6) . ?
C16 H16 0.9800 . ?
C16 C17 1.389(6) . ?
C17 H17 0.9800 . ?
C17 C18 1.509(6) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 C19 1.533(6) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 C21 1.448(5) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22 0.9800 . ?
C22 C23 1.514(6) . ?
C22 C29 1.399(6) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 C24 1.521(6) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 C25 1.506(6) . ?
C25 H25 0.9800 . ?
C25 C26 1.410(5) . ?
C26 H26 0.9800 . ?
C26 C27 1.520(6) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C27 C28 1.526(6) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C28 C29 1.511(6) . ?
C29 H29 0.9800 . ?
N4 C31 1.135(9) . ?
C31 C32 1.433(9) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?

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
N3 Rh1 C7 88.09(14) . . ?
N3 Rh1 C12 93.80(14) . . ?
N3 Rh1 C13 87.57(14) . . ?
N3 Rh1 C16 158.40(15) . . ?
N3 Rh1 C17 163.18(15) . . ?
C7 Rh1 C12 164.61(15) . . ?
C7 Rh1 C13 158.70(15) . . ?
C7 Rh1 C16 95.20(15) . . ?
C7 Rh1 C17 92.56(14) . . ?
C13 Rh1 C12 36.67(15) . . ?
C16 Rh1 C12 88.65(15) . . ?
C16 Rh1 C13 81.63(15) . . ?
C17 Rh1 C12 81.27(15) . . ?
C17 Rh1 C13 97.56(15) . . ?
C17 Rh1 C16 38.21(15) . . ?
C6 N1 C8 121.6(3) . . ?
C7 N1 C6 110.4(3) . . ?
C7 N1 C8 127.8(3) . . ?
Rh2 C1 H1 102.9 . . ?
C2 C1 H1 118.4 . . ?
C2 C1 Rh2 71.73(19) . . ?
C2 C1 B4 114.6(3) . . ?
C2 C1 B6 62.1(2) . . ?
C2 C1 B5 112.2(3) . . ?
B4 C1 H1 119.1 . . ?
B4 C1 Rh2 67.62(18) . . ?
B6 C1 H1 115.5 . . ?
B6 C1 Rh2 129.7(2) . . ?
B6 C1 B4 114.4(3) . . ?
B5 C1 H1 117.7 . . ?
B5 C1 Rh2 126.4(2) . . ?
B5 C1 B4 62.6(2) . . ?
B5 C1 B6 61.5(3) . . ?
C1 Rh2 C2 41.48(13) . . ?
C1 Rh2 B4 45.59(14) . . ?
C1 Rh2 B8 76.37(14) . . ?
B4 Rh2 C2 76.36(14) . . ?
B4 Rh2 B8 46.36(15) . . ?
B8 Rh2 C2 77.67(14) . . ?
B7 Rh2 C1 73.75(15) . . ?
B7 Rh2 C2 44.33(14) . . ?
B7 Rh2 B4 78.86(16) . . ?
B7 Rh2 B8 47.67(15) . . ?
C22 Rh2 C1 109.04(14) . . ?
C22 Rh2 C2 143.89(14) . . ?
C22 Rh2 B4 95.24(16) . . ?
C22 Rh2 B8 121.62(15) . . ?
C22 Rh2 B7 168.72(15) . . ?
C25 Rh2 C1 169.15(15) . . ?
C25 Rh2 C2 131.53(14) . . ?
C25 Rh2 B4 130.42(15) . . ?
C25 Rh2 B8 94.41(14) . . ?
C25 Rh2 B7 95.86(15) . . ?
C25 Rh2 C22 80.56(15) . . ?
C25 Rh2 C26 38.82(15) . . ?
C25 Rh2 C29 96.89(15) . . ?
C26 Rh2 C1 143.02(15) . . ?
C26 Rh2 C2 106.65(14) . . ?
C26 Rh2 B4 167.42(15) . . ?
C26 Rh2 B8 121.67(14) . . ?
C26 Rh2 B7 94.70(15) . . ?
C26 Rh2 C22 89.19(15) . . ?
C29 Rh2 C1 93.87(15) . . ?
C29 Rh2 C2 111.26(15) . . ?
C29 Rh2 B4 109.89(16) . . ?
C29 Rh2 B8 153.58(15) . . ?
C29 Rh2 B7 152.93(16) . . ?
C29 Rh2 C22 38.25(15) . . ?
C29 Rh2 C26 80.73(15) . . ?
C5 N2 C4 122.6(4) . . ?
C7 N2 C4 125.8(4) . . ?
C7 N2 C5 111.6(3) . . ?
C1 C2 Rh2 66.79(18) . . ?
C1 C2 B7 107.0(3) . . ?
C1 C2 B6 62.5(2) . . ?
C1 C2 B11 109.5(3) . . ?
C3 C2 C1 121.6(3) . . ?
C3 C2 Rh2 105.0(3) . . ?
C3 C2 B7 121.3(3) . . ?
C3 C2 B6 117.4(3) . . ?
C3 C2 B11 119.9(3) . . ?
B7 C2 Rh2 64.83(19) . . ?
B7 C2 B6 112.9(3) . . ?
B7 C2 B11 63.3(2) . . ?
B6 C2 Rh2 125.5(2) . . ?
B11 C2 Rh2 123.6(2) . . ?
B11 C2 B6 61.1(2) . . ?
C20 N3 Rh1 178.3(4) . . ?
C2 C3 H3A 108.5 . . ?
C2 C3 H3B 108.5 . . ?
H3A C3 H3B 107.5 . . ?
C4 C3 C2 115.1(4) . . ?
C4 C3 H3A 108.5 . . ?
C4 C3 H3B 108.5 . . ?
N2 C4 H4A 109.1 . . ?
N2 C4 H4B 109.1 . . ?
C3 C4 N2 112.6(4) . . ?
C3 C4 H4A 109.1 . . ?
C3 C4 H4B 109.1 . . ?
H4A C4 H4B 107.8 . . ?
C1 B4 Rh2 66.79(18) . . ?
C1 B4 H4 126.4 . . ?
C1 B4 B8 104.9(3) . . ?
C1 B4 B5 57.4(2) . . ?
C1 B4 B9 103.0(3) . . ?
Rh2 B4 H4 107.5 . . ?
B8 B4 Rh2 67.73(18) . . ?
B8 B4 H4 122.5 . . ?
B5 B4 Rh2 120.8(3) . . ?
B5 B4 H4 120.1 . . ?
B5 B4 B8 108.0(3) . . ?
B9 B4 Rh2 121.9(3) . . ?
B9 B4 H4 120.8 . . ?
B9 B4 B8 60.1(2) . . ?
B9 B4 B5 59.5(3) . . ?
N2 C5 H5 126.7 . . ?
C6 C5 N2 106.6(4) . . ?
C6 C5 H5 126.7 . . ?
Rh2 B8 H8 110.1 . . ?
B4 B8 Rh2 65.91(19) . . ?
B4 B8 H8 123.9 . . ?
B4 B8 B7 103.9(3) . . ?
B4 B8 B9 59.9(2) . . ?
B7 B8 Rh2 64.24(18) . . ?
B7 B8 H8 125.2 . . ?
B9 B8 Rh2 120.0(2) . . ?
B9 B8 H8 120.0 . . ?
B9 B8 B7 105.7(3) . . ?
B12 B8 Rh2 119.5(2) . . ?
B12 B8 B4 106.9(3) . . ?
B12 B8 H8 119.7 . . ?
B12 B8 B7 59.8(2) . . ?
B12 B8 B9 59.6(2) . . ?
N1 C6 H6 126.2 . . ?
C5 C6 N1 107.5(4) . . ?
C5 C6 H6 126.2 . . ?
Rh2 B7 H7 104.9 . . ?
C2 B7 Rh2 70.84(19) . . ?
C2 B7 B8 109.4(3) . . ?
C2 B7 H7 122.3 . . ?
C2 B7 B12 105.6(3) . . ?
C2 B7 B11 58.5(2) . . ?
B8 B7 Rh2 68.1(2) . . ?
B8 B7 H7 122.2 . . ?
B12 B7 Rh2 122.2(3) . . ?
B12 B7 B8 59.0(2) . . ?
B12 B7 H7 121.5 . . ?
B12 B7 B11 59.4(2) . . ?
B11 B7 Rh2 124.7(2) . . ?
B11 B7 B8 108.0(3) . . ?
B11 B7 H7 119.6 . . ?
N1 C7 Rh1 133.0(3) . . ?
N1 C7 N2 103.9(3) . . ?
N2 C7 Rh1 122.9(3) . . ?
C1 B6 H6A 126.3 . . ?
C1 B6 B5 58.1(2) . . ?
C1 B6 B11 102.4(3) . . ?
C1 B6 B10 104.4(3) . . ?
C2 B6 C1 55.5(2) . . ?
C2 B6 H6A 124.4 . . ?
C2 B6 B5 104.0(3) . . ?
C2 B6 B11 59.0(2) . . ?
C2 B6 B10 106.3(3) . . ?
B5 B6 H6A 122.3 . . ?
B5 B6 B10 60.6(3) . . ?
B11 B6 H6A 122.7 . . ?
B11 B6 B5 107.6(3) . . ?
B11 B6 B10 60.5(3) . . ?
B10 B6 H6A 121.8 . . ?
N1 C8 C9 108.9(3) . . ?
N1 C8 C10 111.3(3) . . ?
N1 C8 C11 107.8(3) . . ?
C9 C8 C10 107.3(4) . . ?
C9 C8 C11 111.2(4) . . ?
C11 C8 C10 110.3(4) . . ?
C1 B5 B4 59.9(2) . . ?
C1 B5 B6 60.5(3) . . ?
C1 B5 H5A 123.8 . . ?
C1 B5 B9 105.5(3) . . ?
C1 B5 B10 105.6(3) . . ?
B4 B5 H5A 119.9 . . ?
B6 B5 B4 111.3(3) . . ?
B6 B5 H5A 119.9 . . ?
B6 B5 B9 109.0(3) . . ?
B6 B5 B10 59.8(3) . . ?
B9 B5 B4 60.2(2) . . ?
B9 B5 H5A 122.4 . . ?
B9 B5 B10 60.1(3) . . ?
B10 B5 B4 109.2(3) . . ?
B10 B5 H5A 122.3 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
B4 B9 B8 60.0(2) . . ?
B4 B9 H9 121.6 . . ?
B8 B9 H9 120.9 . . ?
B5 B9 B4 60.3(2) . . ?
B5 B9 B8 108.6(3) . . ?
B5 B9 H9 121.9 . . ?
B5 B9 B12 107.3(3) . . ?
B5 B9 B10 60.0(3) . . ?
B12 B9 B4 107.3(3) . . ?
B12 B9 B8 60.0(2) . . ?
B12 B9 H9 122.3 . . ?
B12 B9 B10 60.7(2) . . ?
B10 B9 B4 109.3(3) . . ?
B10 B9 B8 110.1(3) . . ?
B10 B9 H9 120.3 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
B8 B12 B7 61.2(2) . . ?
B8 B12 H12 119.6 . . ?
B8 B12 B11 110.7(3) . . ?
B8 B12 B10 109.6(3) . . ?
B7 B12 H12 121.9 . . ?
B9 B12 B8 60.4(2) . . ?
B9 B12 B7 107.3(3) . . ?
B9 B12 H12 122.5 . . ?
B9 B12 B11 107.3(3) . . ?
B9 B12 B10 59.7(2) . . ?
B11 B12 B7 60.4(2) . . ?
B11 B12 H12 121.2 . . ?
B11 B12 B10 59.4(2) . . ?
B10 B12 B7 107.4(3) . . ?
B10 B12 H12 121.9 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C2 B11 B7 58.2(2) . . ?
C2 B11 B6 59.9(2) . . ?
C2 B11 B12 106.1(3) . . ?
C2 B11 H11 123.6 . . ?
C2 B11 B10 106.5(3) . . ?
B7 B11 H11 122.0 . . ?
B6 B11 B7 107.7(3) . . ?
B6 B11 B12 108.7(3) . . ?
B6 B11 H11 121.3 . . ?
B6 B11 B10 59.9(3) . . ?
B12 B11 B7 60.2(2) . . ?
B12 B11 H11 121.6 . . ?
B10 B11 B7 108.3(3) . . ?
B10 B11 B12 60.7(2) . . ?
B10 B11 H11 121.7 . . ?
Rh1 C12 H12A 113.9 . . ?
C13 C12 Rh1 71.3(2) . . ?
C13 C12 H12A 113.9 . . ?
C13 C12 C19 124.6(4) . . ?
C19 C12 Rh1 111.7(2) . . ?
C19 C12 H12A 113.9 . . ?
B6 B10 B5 59.6(3) . . ?
B6 B10 B9 108.6(3) . . ?
B6 B10 B12 107.8(3) . . ?
B6 B10 B11 59.6(3) . . ?
B6 B10 H10 121.5 . . ?
B5 B10 B9 59.9(3) . . ?
B5 B10 B12 106.2(3) . . ?
B5 B10 H10 123.1 . . ?
B9 B10 B12 59.6(2) . . ?
B9 B10 H10 121.4 . . ?
B12 B10 H10 122.3 . . ?
B11 B10 B5 106.0(3) . . ?
B11 B10 B9 107.7(3) . . ?
B11 B10 B12 59.9(2) . . ?
B11 B10 H10 122.5 . . ?
Rh1 C13 H13 114.3 . . ?
C12 C13 Rh1 72.0(2) . . ?
C12 C13 H13 114.3 . . ?
C12 C13 C14 125.3(4) . . ?
C14 C13 Rh1 108.4(3) . . ?
C14 C13 H13 114.3 . . ?
C13 C14 H14A 109.0 . . ?
C13 C14 H14B 109.0 . . ?
C13 C14 C15 112.9(3) . . ?
H14A C14 H14B 107.8 . . ?
C15 C14 H14A 109.0 . . ?
C15 C14 H14B 109.0 . . ?
C14 C15 H15A 108.9 . . ?
C14 C15 H15B 108.9 . . ?
H15A C15 H15B 107.7 . . ?
C16 C15 C14 113.5(3) . . ?
C16 C15 H15A 108.9 . . ?
C16 C15 H15B 108.9 . . ?
Rh1 C16 H16 113.5 . . ?
C15 C16 Rh1 113.2(3) . . ?
C15 C16 H16 113.5 . . ?
C17 C16 Rh1 70.6(2) . . ?
C17 C16 C15 125.1(4) . . ?
C17 C16 H16 113.5 . . ?
Rh1 C17 H17 113.8 . . ?
C16 C17 Rh1 71.2(2) . . ?
C16 C17 H17 113.8 . . ?
C16 C17 C18 126.2(4) . . ?
C18 C17 Rh1 109.7(2) . . ?
C18 C17 H17 113.8 . . ?
C17 C18 H18A 109.0 . . ?
C17 C18 H18B 109.0 . . ?
C17 C18 C19 113.0(3) . . ?
H18A C18 H18B 107.8 . . ?
C19 C18 H18A 109.0 . . ?
C19 C18 H18B 109.0 . . ?
C12 C19 C18 111.7(3) . . ?
C12 C19 H19A 109.3 . . ?
C12 C19 H19B 109.3 . . ?
C18 C19 H19A 109.3 . . ?
C18 C19 H19B 109.3 . . ?
H19A C19 H19B 107.9 . . ?
N3 C20 C21 179.3(5) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Rh2 C22 H22 113.8 . . ?
C23 C22 Rh2 114.2(3) . . ?
C23 C22 H22 113.8 . . ?
C29 C22 Rh2 70.1(2) . . ?
C29 C22 H22 113.8 . . ?
C29 C22 C23 123.7(4) . . ?
C22 C23 H23A 109.3 . . ?
C22 C23 H23B 109.3 . . ?
C22 C23 C24 111.6(3) . . ?
H23A C23 H23B 108.0 . . ?
C24 C23 H23A 109.3 . . ?
C24 C23 H23B 109.3 . . ?
C23 C24 H24A 109.0 . . ?
C23 C24 H24B 109.0 . . ?
H24A C24 H24B 107.8 . . ?
C25 C24 C23 112.8(3) . . ?
C25 C24 H24A 109.0 . . ?
C25 C24 H24B 109.0 . . ?
Rh2 C25 H25 113.7 . . ?
C24 C25 Rh2 112.1(3) . . ?
C24 C25 H25 113.7 . . ?
C26 C25 Rh2 71.4(2) . . ?
C26 C25 C24 125.0(4) . . ?
C26 C25 H25 113.7 . . ?
Rh2 C26 H26 114.0 . . ?
C25 C26 Rh2 69.8(2) . . ?
C25 C26 H26 114.0 . . ?
C25 C26 C27 122.9(4) . . ?
C27 C26 Rh2 114.5(3) . . ?
C27 C26 H26 114.0 . . ?
C26 C27 H27A 109.3 . . ?
C26 C27 H27B 109.3 . . ?
C26 C27 C28 111.7(3) . . ?
H27A C27 H27B 107.9 . . ?
C28 C27 H27A 109.3 . . ?
C28 C27 H27B 109.3 . . ?
C27 C28 H28A 109.1 . . ?
C27 C28 H28B 109.1 . . ?
H28A C28 H28B 107.8 . . ?
C29 C28 C27 112.5(3) . . ?
C29 C28 H28A 109.1 . . ?
C29 C28 H28B 109.1 . . ?
Rh2 C29 H29 113.8 . . ?
C22 C29 Rh2 71.6(2) . . ?
C22 C29 C28 124.6(4) . . ?
C22 C29 H29 113.8 . . ?
C28 C29 Rh2 111.9(3) . . ?
C28 C29 H29 113.8 . . ?
N4 C31 C32 178.8(7) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?

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
Rh1 N3 C20 C21 64(45) . . . . ?
Rh1 C12 C13 C14 100.2(4) . . . . ?
Rh1 C12 C19 C18 14.2(4) . . . . ?
Rh1 C13 C14 C15 35.4(4) . . . . ?
Rh1 C16 C17 C18 101.1(4) . . . . ?
Rh1 C17 C18 C19 39.2(4) . . . . ?
C1 Rh2 C2 C3 118.4(3) . . . . ?
C1 Rh2 C2 B7 -123.6(3) . . . . ?
C1 Rh2 C2 B6 -22.5(3) . . . . ?
C1 Rh2 C2 B11 -98.7(3) . . . . ?
C1 Rh2 B4 B8 118.6(3) . . . . ?
C1 Rh2 B4 B5 20.3(3) . . . . ?
C1 Rh2 B4 B9 91.3(3) . . . . ?
C1 Rh2 B8 B4 -40.2(2) . . . . ?
C1 Rh2 B8 B7 80.3(2) . . . . ?
C1 Rh2 B8 B9 -13.6(3) . . . . ?
C1 Rh2 B8 B12 56.2(3) . . . . ?
C1 Rh2 B7 C2 35.09(19) . . . . ?
C1 Rh2 B7 B8 -86.19(19) . . . . ?
C1 Rh2 B7 B12 -61.6(3) . . . . ?
C1 Rh2 B7 B11 11.1(3) . . . . ?
C1 Rh2 C22 C23 169.8(3) . . . . ?
C1 Rh2 C22 C29 -71.2(3) . . . . ?
C1 Rh2 C25 C24 -132.3(7) . . . . ?
C1 Rh2 C25 C26 106.6(8) . . . . ?
C1 Rh2 C26 C25 -162.5(2) . . . . ?
C1 Rh2 C26 C27 79.5(4) . . . . ?
C1 Rh2 C29 C22 116.3(2) . . . . ?
C1 Rh2 C29 C28 -123.0(3) . . . . ?
C1 C2 C3 C4 -120.4(4) . . . . ?
C1 C2 B7 Rh2 -53.2(2) . . . . ?
C1 C2 B7 B8 4.0(4) . . . . ?
C1 C2 B7 B12 66.1(4) . . . . ?
C1 C2 B7 B11 103.7(3) . . . . ?
C1 C2 B6 B5 -33.5(3) . . . . ?
C1 C2 B6 B11 -135.8(3) . . . . ?
C1 C2 B6 B10 -96.5(3) . . . . ?
C1 C2 B11 B7 -99.7(3) . . . . ?
C1 C2 B11 B6 41.0(3) . . . . ?
C1 C2 B11 B12 -61.6(3) . . . . ?
C1 C2 B11 B10 1.9(4) . . . . ?
C1 B4 B8 Rh2 56.7(2) . . . . ?
C1 B4 B8 B7 3.6(4) . . . . ?
C1 B4 B8 B9 -96.7(3) . . . . ?
C1 B4 B8 B12 -58.7(3) . . . . ?
C1 B4 B5 B6 33.2(3) . . . . ?
C1 B4 B5 B9 133.5(3) . . . . ?
C1 B4 B5 B10 97.3(3) . . . . ?
C1 B4 B9 B8 99.9(3) . . . . ?
C1 B4 B9 B5 -38.9(3) . . . . ?
C1 B4 B9 B12 61.5(3) . . . . ?
C1 B4 B9 B10 -2.8(4) . . . . ?
C1 B6 B5 B4 -33.0(3) . . . . ?
C1 B6 B5 B9 -97.5(3) . . . . ?
C1 B6 B5 B10 -133.4(3) . . . . ?
C1 B6 B11 C2 -36.0(3) . . . . ?
C1 B6 B11 B7 -1.6(4) . . . . ?
C1 B6 B11 B12 62.2(4) . . . . ?
C1 B6 B11 B10 99.7(3) . . . . ?
C1 B6 B10 B5 39.5(3) . . . . ?
C1 B6 B10 B9 3.8(4) . . . . ?
C1 B6 B10 B12 -59.2(4) . . . . ?
C1 B6 B10 B11 -96.2(3) . . . . ?
C1 B5 B9 B4 40.7(3) . . . . ?
C1 B5 B9 B8 3.6(4) . . . . ?
C1 B5 B9 B12 -59.8(4) . . . . ?
C1 B5 B9 B10 -99.4(3) . . . . ?
C1 B5 B10 B6 -41.0(3) . . . . ?
C1 B5 B10 B9 99.2(3) . . . . ?
C1 B5 B10 B12 60.4(4) . . . . ?
C1 B5 B10 B11 -2.3(4) . . . . ?
Rh2 C1 C2 C3 -93.8(4) . . . . ?
Rh2 C1 C2 B7 52.0(2) . . . . ?
Rh2 C1 C2 B6 159.5(2) . . . . ?
Rh2 C1 C2 B11 119.1(3) . . . . ?
Rh2 C1 B4 B8 -57.3(2) . . . . ?
Rh2 C1 B4 B5 -159.3(3) . . . . ?
Rh2 C1 B4 B9 -119.3(2) . . . . ?
Rh2 C1 B6 C2 -25.7(3) . . . . ?
Rh2 C1 B6 B5 115.2(4) . . . . ?
Rh2 C1 B6 B11 12.1(5) . . . . ?
Rh2 C1 B6 B10 74.4(4) . . . . ?
Rh2 C1 B5 B4 24.0(3) . . . . ?
Rh2 C1 B5 B6 -120.2(3) . . . . ?
Rh2 C1 B5 B9 -16.8(4) . . . . ?
Rh2 C1 B5 B10 -79.5(4) . . . . ?
Rh2 C2 C3 C4 167.9(4) . . . . ?
Rh2 C2 B7 B8 57.2(2) . . . . ?
Rh2 C2 B7 B12 119.2(3) . . . . ?
Rh2 C2 B7 B11 156.9(2) . . . . ?
Rh2 C2 B6 C1 23.3(3) . . . . ?
Rh2 C2 B6 B5 -10.2(4) . . . . ?
Rh2 C2 B6 B11 -112.5(3) . . . . ?
Rh2 C2 B6 B10 -73.2(4) . . . . ?
Rh2 C2 B11 B7 -25.2(3) . . . . ?
Rh2 C2 B11 B6 115.5(3) . . . . ?
Rh2 C2 B11 B12 12.9(4) . . . . ?
Rh2 C2 B11 B10 76.4(3) . . . . ?
Rh2 B4 B8 B7 -53.1(2) . . . . ?
Rh2 B4 B8 B9 -153.3(2) . . . . ?
Rh2 B4 B8 B12 -115.3(3) . . . . ?
Rh2 B4 B5 C1 -22.2(3) . . . . ?
Rh2 B4 B5 B6 10.9(5) . . . . ?
Rh2 B4 B5 B9 111.2(3) . . . . ?
Rh2 B4 B5 B10 75.1(4) . . . . ?
Rh2 B4 B9 B8 29.3(3) . . . . ?
Rh2 B4 B9 B5 -109.5(3) . . . . ?
Rh2 B4 B9 B12 -9.1(4) . . . . ?
Rh2 B4 B9 B10 -73.4(4) . . . . ?
Rh2 B8 B7 C2 -58.9(2) . . . . ?
Rh2 B8 B7 B12 -155.8(2) . . . . ?
Rh2 B8 B7 B11 -120.9(3) . . . . ?
Rh2 B8 B9 B4 -28.3(3) . . . . ?
Rh2 B8 B9 B5 8.9(4) . . . . ?
Rh2 B8 B9 B12 108.6(3) . . . . ?
Rh2 B8 B9 B10 73.0(4) . . . . ?
Rh2 B8 B12 B7 25.1(2) . . . . ?
Rh2 B8 B12 B9 -109.6(3) . . . . ?
Rh2 B8 B12 B11 -10.8(4) . . . . ?
Rh2 B8 B12 B10 -74.5(3) . . . . ?
Rh2 B7 B12 B8 -26.7(3) . . . . ?
Rh2 B7 B12 B9 13.6(4) . . . . ?
Rh2 B7 B12 B11 114.1(3) . . . . ?
Rh2 B7 B12 B10 76.5(4) . . . . ?
Rh2 B7 B11 C2 26.8(3) . . . . ?
Rh2 B7 B11 B6 -8.3(4) . . . . ?
Rh2 B7 B11 B12 -110.1(3) . . . . ?
Rh2 B7 B11 B10 -71.7(4) . . . . ?
Rh2 C22 C23 C24 -11.3(4) . . . . ?
Rh2 C22 C29 C28 -104.4(4) . . . . ?
Rh2 C25 C26 C27 106.8(4) . . . . ?
Rh2 C26 C27 C28 -11.6(5) . . . . ?
N2 C5 C6 N1 -1.4(5) . . . . ?
C2 C1 Rh2 B4 -127.6(3) . . . . ?
C2 C1 Rh2 B8 -86.7(2) . . . . ?
C2 C1 Rh2 B7 -37.3(2) . . . . ?
C2 C1 Rh2 C22 154.1(2) . . . . ?
C2 C1 Rh2 C25 -54.3(9) . . . . ?
C2 C1 Rh2 C26 38.5(3) . . . . ?
C2 C1 Rh2 C29 118.2(2) . . . . ?
C2 C1 B4 Rh2 55.9(3) . . . . ?
C2 C1 B4 B8 -1.4(4) . . . . ?
C2 C1 B4 B5 -103.4(4) . . . . ?
C2 C1 B4 B9 -63.5(4) . . . . ?
C2 C1 B6 B5 140.9(3) . . . . ?
C2 C1 B6 B11 37.7(3) . . . . ?
C2 C1 B6 B10 100.1(3) . . . . ?
C2 C1 B5 B4 107.1(3) . . . . ?
C2 C1 B5 B6 -37.0(3) . . . . ?
C2 C1 B5 B9 66.3(4) . . . . ?
C2 C1 B5 B10 3.6(4) . . . . ?
C2 Rh2 B4 C1 -32.71(19) . . . . ?
C2 Rh2 B4 B8 85.9(2) . . . . ?
C2 Rh2 B4 B5 -12.4(3) . . . . ?
C2 Rh2 B4 B9 58.6(3) . . . . ?
C2 Rh2 B8 B4 -82.8(2) . . . . ?
C2 Rh2 B8 B7 37.69(19) . . . . ?
C2 Rh2 B8 B9 -56.2(3) . . . . ?
C2 Rh2 B8 B12 13.6(3) . . . . ?
C2 Rh2 B7 B8 -121.3(3) . . . . ?
C2 Rh2 B7 B12 -96.7(3) . . . . ?
C2 Rh2 B7 B11 -24.0(3) . . . . ?
C2 Rh2 C22 C23 -160.8(3) . . . . ?
C2 Rh2 C22 C29 -41.8(4) . . . . ?
C2 Rh2 C25 C24 -178.3(2) . . . . ?
C2 Rh2 C25 C26 60.7(3) . . . . ?
C2 Rh2 C26 C25 -137.1(2) . . . . ?
C2 Rh2 C26 C27 104.9(3) . . . . ?
C2 Rh2 C29 C22 155.0(2) . . . . ?
C2 Rh2 C29 C28 -84.2(3) . . . . ?
C2 C3 C4 N2 -169.9(4) . . . . ?
C2 B7 B12 B8 -103.6(3) . . . . ?
C2 B7 B12 B9 -63.2(4) . . . . ?
C2 B7 B12 B11 37.2(3) . . . . ?
C2 B7 B12 B10 -0.4(4) . . . . ?
C2 B7 B11 B6 -35.1(3) . . . . ?
C2 B7 B11 B12 -136.8(3) . . . . ?
C2 B7 B11 B10 -98.4(3) . . . . ?
C2 B6 B5 C1 32.4(3) . . . . ?
C2 B6 B5 B4 -0.6(4) . . . . ?
C2 B6 B5 B9 -65.1(4) . . . . ?
C2 B6 B5 B10 -101.0(3) . . . . ?
C2 B6 B11 B7 34.4(3) . . . . ?
C2 B6 B11 B12 98.2(3) . . . . ?
C2 B6 B11 B10 135.7(3) . . . . ?
C2 B6 B10 B5 97.2(3) . . . . ?
C2 B6 B10 B9 61.4(4) . . . . ?
C2 B6 B10 B12 -1.6(4) . . . . ?
C2 B6 B10 B11 -38.6(3) . . . . ?
C2 B11 B10 B6 39.0(3) . . . . ?
C2 B11 B10 B5 0.3(4) . . . . ?
C2 B11 B10 B9 -62.5(4) . . . . ?
C2 B11 B10 B12 -99.5(3) . . . . ?
N3 Rh1 C7 N1 81.8(4) . . . . ?
N3 Rh1 C7 N2 -93.0(3) . . . . ?
N3 Rh1 C12 C13 80.8(2) . . . . ?
N3 Rh1 C12 C19 -158.6(3) . . . . ?
N3 Rh1 C13 C12 -99.7(2) . . . . ?
N3 Rh1 C13 C14 138.2(3) . . . . ?
N3 Rh1 C16 C15 -53.7(5) . . . . ?
N3 Rh1 C16 C17 -174.5(3) . . . . ?
N3 Rh1 C17 C16 173.0(4) . . . . ?
N3 Rh1 C17 C18 50.3(6) . . . . ?
C3 C2 B7 Rh2 92.8(3) . . . . ?
C3 C2 B7 B8 150.0(3) . . . . ?
C3 C2 B7 B12 -148.0(3) . . . . ?
C3 C2 B7 B11 -110.4(4) . . . . ?
C3 C2 B6 C1 -113.3(4) . . . . ?
C3 C2 B6 B5 -146.8(3) . . . . ?
C3 C2 B6 B11 110.9(4) . . . . ?
C3 C2 B6 B10 150.1(3) . . . . ?
C3 C2 B11 B7 112.5(4) . . . . ?
C3 C2 B11 B6 -106.8(4) . . . . ?
C3 C2 B11 B12 150.6(3) . . . . ?
C3 C2 B11 B10 -145.9(4) . . . . ?
C4 N2 C5 C6 -178.3(4) . . . . ?
C4 N2 C7 Rh1 -4.9(5) . . . . ?
C4 N2 C7 N1 179.0(4) . . . . ?
B4 C1 Rh2 C2 127.6(3) . . . . ?
B4 C1 Rh2 B8 40.8(2) . . . . ?
B4 C1 Rh2 B7 90.2(2) . . . . ?
B4 C1 Rh2 C22 -78.3(2) . . . . ?
B4 C1 Rh2 C25 73.2(8) . . . . ?
B4 C1 Rh2 C26 166.0(2) . . . . ?
B4 C1 Rh2 C29 -114.3(2) . . . . ?
B4 C1 C2 Rh2 -53.7(2) . . . . ?
B4 C1 C2 C3 -147.5(4) . . . . ?
B4 C1 C2 B7 -1.7(4) . . . . ?
B4 C1 C2 B6 105.7(3) . . . . ?
B4 C1 C2 B11 65.4(4) . . . . ?
B4 C1 B6 C2 -106.0(3) . . . . ?
B4 C1 B6 B5 34.8(3) . . . . ?
B4 C1 B6 B11 -68.3(4) . . . . ?
B4 C1 B6 B10 -6.0(4) . . . . ?
B4 C1 B5 B6 -144.1(3) . . . . ?
B4 C1 B5 B9 -40.8(3) . . . . ?
B4 C1 B5 B10 -103.5(3) . . . . ?
B4 Rh2 C2 C1 35.6(2) . . . . ?
B4 Rh2 C2 C3 154.1(3) . . . . ?
B4 Rh2 C2 B7 -87.9(2) . . . . ?
B4 Rh2 C2 B6 13.2(3) . . . . ?
B4 Rh2 C2 B11 -63.1(3) . . . . ?
B4 Rh2 B8 B7 120.5(3) . . . . ?
B4 Rh2 B8 B9 26.6(3) . . . . ?
B4 Rh2 B8 B12 96.5(3) . . . . ?
B4 Rh2 B7 C2 81.8(2) . . . . ?
B4 Rh2 B7 B8 -39.46(18) . . . . ?
B4 Rh2 B7 B12 -14.9(3) . . . . ?
B4 Rh2 B7 B11 57.8(3) . . . . ?
B4 Rh2 C22 C23 125.2(3) . . . . ?
B4 Rh2 C22 C29 -115.8(2) . . . . ?
B4 Rh2 C25 C24 -68.4(3) . . . . ?
B4 Rh2 C25 C26 170.6(2) . . . . ?
B4 Rh2 C26 C25 -34.9(8) . . . . ?
B4 Rh2 C26 C27 -152.9(6) . . . . ?
B4 Rh2 C29 C22 72.4(3) . . . . ?
B4 Rh2 C29 C28 -166.8(3) . . . . ?
B4 B8 B7 Rh2 54.1(2) . . . . ?
B4 B8 B7 C2 -4.8(4) . . . . ?
B4 B8 B7 B12 -101.7(3) . . . . ?
B4 B8 B7 B11 -66.8(3) . . . . ?
B4 B8 B9 B5 37.2(3) . . . . ?
B4 B8 B9 B12 136.9(3) . . . . ?
B4 B8 B9 B10 101.2(3) . . . . ?
B4 B8 B12 B7 96.5(3) . . . . ?
B4 B8 B12 B9 -38.2(3) . . . . ?
B4 B8 B12 B11 60.6(4) . . . . ?
B4 B8 B12 B10 -3.1(4) . . . . ?
B4 B5 B9 B8 -37.1(3) . . . . ?
B4 B5 B9 B12 -100.5(3) . . . . ?
B4 B5 B9 B10 -140.1(3) . . . . ?
B4 B5 B10 B6 -104.1(3) . . . . ?
B4 B5 B10 B9 36.1(3) . . . . ?
B4 B5 B10 B12 -2.6(4) . . . . ?
B4 B5 B10 B11 -65.3(4) . . . . ?
B4 B9 B12 B8 38.4(3) . . . . ?
B4 B9 B12 B7 -2.4(4) . . . . ?
B4 B9 B12 B11 -66.0(4) . . . . ?
B4 B9 B12 B10 -102.8(3) . . . . ?
B4 B9 B10 B6 -0.6(4) . . . . ?
B4 B9 B10 B5 -36.2(3) . . . . ?
B4 B9 B10 B12 99.5(3) . . . . ?
B4 B9 B10 B11 62.4(4) . . . . ?
C5 N2 C4 C3 -74.5(6) . . . . ?
C5 N2 C7 Rh1 175.4(3) . . . . ?
C5 N2 C7 N1 -0.7(4) . . . . ?
B8 Rh2 C2 C1 83.3(2) . . . . ?
B8 Rh2 C2 C3 -158.3(3) . . . . ?
B8 Rh2 C2 B7 -40.3(2) . . . . ?
B8 Rh2 C2 B6 60.8(3) . . . . ?
B8 Rh2 C2 B11 -15.4(3) . . . . ?
B8 Rh2 B4 C1 -118.6(3) . . . . ?
B8 Rh2 B4 B5 -98.3(4) . . . . ?
B8 Rh2 B4 B9 -27.3(3) . . . . ?
B8 Rh2 B7 C2 121.3(3) . . . . ?
B8 Rh2 B7 B12 24.6(2) . . . . ?
B8 Rh2 B7 B11 97.3(3) . . . . ?
B8 Rh2 C22 C23 84.4(3) . . . . ?
B8 Rh2 C22 C29 -156.6(2) . . . . ?
B8 Rh2 C25 C24 -100.9(3) . . . . ?
B8 Rh2 C25 C26 138.1(2) . . . . ?
B8 Rh2 C26 C25 -51.5(3) . . . . ?
B8 Rh2 C26 C27 -169.5(3) . . . . ?
B8 Rh2 C29 C22 49.5(4) . . . . ?
B8 Rh2 C29 C28 170.3(3) . . . . ?
B8 B4 B5 C1 -96.5(3) . . . . ?
B8 B4 B5 B6 -63.4(4) . . . . ?
B8 B4 B5 B9 36.9(3) . . . . ?
B8 B4 B5 B10 0.8(4) . . . . ?
B8 B4 B9 B5 -138.8(3) . . . . ?
B8 B4 B9 B12 -38.3(3) . . . . ?
B8 B4 B9 B10 -102.7(3) . . . . ?
B8 B7 B12 B9 40.4(3) . . . . ?
B8 B7 B12 B11 140.8(3) . . . . ?
B8 B7 B12 B10 103.2(3) . . . . ?
B8 B7 B11 C2 102.2(3) . . . . ?
B8 B7 B11 B6 67.1(4) . . . . ?
B8 B7 B11 B12 -34.7(3) . . . . ?
B8 B7 B11 B10 3.7(4) . . . . ?
B8 B9 B12 B7 -40.7(3) . . . . ?
B8 B9 B12 B11 -104.3(3) . . . . ?
B8 B9 B12 B10 -141.2(3) . . . . ?
B8 B9 B10 B6 -64.8(4) . . . . ?
B8 B9 B10 B5 -100.4(3) . . . . ?
B8 B9 B10 B12 35.3(3) . . . . ?
B8 B9 B10 B11 -1.8(4) . . . . ?
B8 B12 B11 C2 -1.0(4) . . . . ?
B8 B12 B11 B7 36.2(3) . . . . ?
B8 B12 B11 B6 -64.0(4) . . . . ?
B8 B12 B11 B10 -101.2(3) . . . . ?
B8 B12 B10 B6 66.1(4) . . . . ?
B8 B12 B10 B5 3.5(4) . . . . ?
B8 B12 B10 B9 -35.4(3) . . . . ?
B8 B12 B10 B11 102.9(3) . . . . ?
C6 N1 C7 Rh1 -175.7(3) . . . . ?
C6 N1 C7 N2 -0.2(4) . . . . ?
C6 N1 C8 C9 41.1(5) . . . . ?
C6 N1 C8 C10 159.2(4) . . . . ?
C6 N1 C8 C11 -79.7(5) . . . . ?
B7 Rh2 C2 C1 123.6(3) . . . . ?
B7 Rh2 C2 C3 -118.0(3) . . . . ?
B7 Rh2 C2 B6 101.1(4) . . . . ?
B7 Rh2 C2 B11 24.9(3) . . . . ?
B7 Rh2 B4 C1 -78.1(2) . . . . ?
B7 Rh2 B4 B8 40.5(2) . . . . ?
B7 Rh2 B4 B5 -57.8(3) . . . . ?
B7 Rh2 B4 B9 13.2(3) . . . . ?
B7 Rh2 B8 B4 -120.5(3) . . . . ?
B7 Rh2 B8 B9 -93.9(3) . . . . ?
B7 Rh2 B8 B12 -24.1(2) . . . . ?
B7 Rh2 C22 C23 67.3(9) . . . . ?
B7 Rh2 C22 C29 -173.7(7) . . . . ?
B7 Rh2 C25 C24 -148.7(3) . . . . ?
B7 Rh2 C25 C26 90.2(2) . . . . ?
B7 Rh2 C26 C25 -93.5(2) . . . . ?
B7 Rh2 C26 C27 148.5(3) . . . . ?
B7 Rh2 C29 C22 177.3(3) . . . . ?
B7 Rh2 C29 C28 -62.0(5) . . . . ?
B7 C2 C3 C4 98.6(5) . . . . ?
B7 C2 B6 C1 97.9(3) . . . . ?
B7 C2 B6 B5 64.4(4) . . . . ?
B7 C2 B6 B11 -37.9(3) . . . . ?
B7 C2 B6 B10 1.4(4) . . . . ?
B7 C2 B11 B6 140.7(3) . . . . ?
B7 C2 B11 B12 38.2(3) . . . . ?
B7 C2 B11 B10 101.7(3) . . . . ?
B7 B8 B9 B4 -97.2(3) . . . . ?
B7 B8 B9 B5 -60.0(4) . . . . ?
B7 B8 B9 B12 39.7(3) . . . . ?
B7 B8 B9 B10 4.0(4) . . . . ?
B7 B8 B12 B9 -134.7(3) . . . . ?
B7 B8 B12 B11 -35.9(3) . . . . ?
B7 B8 B12 B10 -99.6(3) . . . . ?
B7 B12 B11 C2 -37.2(3) . . . . ?
B7 B12 B11 B6 -100.2(3) . . . . ?
B7 B12 B11 B10 -137.4(3) . . . . ?
B7 B12 B10 B6 1.2(4) . . . . ?
B7 B12 B10 B5 -61.4(4) . . . . ?
B7 B12 B10 B9 -100.3(3) . . . . ?
B7 B12 B10 B11 38.1(3) . . . . ?
B7 B11 B10 B6 100.3(3) . . . . ?
B7 B11 B10 B5 61.6(4) . . . . ?
B7 B11 B10 B9 -1.2(4) . . . . ?
B7 B11 B10 B12 -38.2(3) . . . . ?
C7 Rh1 N3 C20 -90(13) . . . . ?
C7 Rh1 C12 C13 177.4(5) . . . . ?
C7 Rh1 C12 C19 -62.0(7) . . . . ?
C7 Rh1 C13 C12 -178.1(3) . . . . ?
C7 Rh1 C13 C14 59.7(5) . . . . ?
C7 Rh1 C16 C15 -151.7(3) . . . . ?
C7 Rh1 C16 C17 87.5(2) . . . . ?
C7 Rh1 C17 C16 -95.2(2) . . . . ?
C7 Rh1 C17 C18 142.1(3) . . . . ?
C7 N1 C6 C5 1.1(4) . . . . ?
C7 N1 C8 C9 -145.6(4) . . . . ?
C7 N1 C8 C10 -27.6(5) . . . . ?
C7 N1 C8 C11 93.6(5) . . . . ?
C7 N2 C4 C3 105.8(5) . . . . ?
C7 N2 C5 C6 1.4(5) . . . . ?
B6 C1 Rh2 C2 23.8(3) . . . . ?
B6 C1 Rh2 B4 -103.8(4) . . . . ?
B6 C1 Rh2 B8 -62.9(3) . . . . ?
B6 C1 Rh2 B7 -13.6(3) . . . . ?
B6 C1 Rh2 C22 177.9(3) . . . . ?
B6 C1 Rh2 C25 -30.6(10) . . . . ?
B6 C1 Rh2 C26 62.2(4) . . . . ?
B6 C1 Rh2 C29 141.9(4) . . . . ?
B6 C1 C2 Rh2 -159.5(2) . . . . ?
B6 C1 C2 C3 106.8(4) . . . . ?
B6 C1 C2 B7 -107.4(3) . . . . ?
B6 C1 C2 B11 -40.4(3) . . . . ?
B6 C1 B4 Rh2 124.9(3) . . . . ?
B6 C1 B4 B8 67.6(4) . . . . ?
B6 C1 B4 B5 -34.4(3) . . . . ?
B6 C1 B4 B9 5.5(4) . . . . ?
B6 C1 B5 B4 144.1(3) . . . . ?
B6 C1 B5 B9 103.3(3) . . . . ?
B6 C1 B5 B10 40.7(3) . . . . ?
B6 C2 C3 C4 -47.4(5) . . . . ?
B6 C2 B7 Rh2 -119.9(3) . . . . ?
B6 C2 B7 B8 -62.7(4) . . . . ?
B6 C2 B7 B12 -0.7(4) . . . . ?
B6 C2 B7 B11 37.0(3) . . . . ?
B6 C2 B11 B7 -140.7(3) . . . . ?
B6 C2 B11 B12 -102.6(3) . . . . ?
B6 C2 B11 B10 -39.1(3) . . . . ?
B6 B5 B9 B4 104.2(3) . . . . ?
B6 B5 B9 B8 67.2(4) . . . . ?
B6 B5 B9 B12 3.8(4) . . . . ?
B6 B5 B9 B10 -35.8(3) . . . . ?
B6 B5 B10 B9 140.2(3) . . . . ?
B6 B5 B10 B12 101.4(3) . . . . ?
B6 B5 B10 B11 38.7(3) . . . . ?
B6 B11 B10 B5 -38.7(3) . . . . ?
B6 B11 B10 B9 -101.6(4) . . . . ?
B6 B11 B10 B12 -138.5(3) . . . . ?
C8 N1 C6 C5 175.4(3) . . . . ?
C8 N1 C7 Rh1 10.4(6) . . . . ?
C8 N1 C7 N2 -174.1(3) . . . . ?
B5 C1 Rh2 C2 104.6(4) . . . . ?
B5 C1 Rh2 B4 -23.0(3) . . . . ?
B5 C1 Rh2 B8 17.9(3) . . . . ?
B5 C1 Rh2 B7 67.3(3) . . . . ?
B5 C1 Rh2 C22 -101.3(3) . . . . ?
B5 C1 Rh2 C25 50.3(9) . . . . ?
B5 C1 Rh2 C26 143.1(3) . . . . ?
B5 C1 Rh2 C29 -137.2(3) . . . . ?
B5 C1 C2 Rh2 -122.7(3) . . . . ?
B5 C1 C2 C3 143.6(4) . . . . ?
B5 C1 C2 B7 -70.6(4) . . . . ?
B5 C1 C2 B6 36.8(3) . . . . ?
B5 C1 C2 B11 -3.6(4) . . . . ?
B5 C1 B4 Rh2 159.3(3) . . . . ?
B5 C1 B4 B8 102.0(3) . . . . ?
B5 C1 B4 B9 39.9(3) . . . . ?
B5 C1 B6 C2 -140.9(3) . . . . ?
B5 C1 B6 B11 -103.2(3) . . . . ?
B5 C1 B6 B10 -40.8(3) . . . . ?
B5 B4 B8 Rh2 116.7(3) . . . . ?
B5 B4 B8 B7 63.6(4) . . . . ?
B5 B4 B8 B9 -36.6(3) . . . . ?
B5 B4 B8 B12 1.4(4) . . . . ?
B5 B4 B9 B8 138.8(3) . . . . ?
B5 B4 B9 B12 100.4(3) . . . . ?
B5 B4 B9 B10 36.1(3) . . . . ?
B5 B6 B11 C2 -96.1(3) . . . . ?
B5 B6 B11 B7 -61.7(4) . . . . ?
B5 B6 B11 B12 2.1(4) . . . . ?
B5 B6 B11 B10 39.6(3) . . . . ?
B5 B6 B10 B9 -35.7(3) . . . . ?
B5 B6 B10 B12 -98.8(3) . . . . ?
B5 B6 B10 B11 -135.8(3) . . . . ?
B5 B9 B12 B8 101.9(3) . . . . ?
B5 B9 B12 B7 61.2(4) . . . . ?
B5 B9 B12 B11 -2.4(4) . . . . ?
B5 B9 B12 B10 -39.3(3) . . . . ?
B5 B9 B10 B6 35.6(3) . . . . ?
B5 B9 B10 B12 135.8(3) . . . . ?
B5 B9 B10 B11 98.6(3) . . . . ?
B9 B4 B8 Rh2 153.3(2) . . . . ?
B9 B4 B8 B7 100.3(3) . . . . ?
B9 B4 B8 B12 38.0(3) . . . . ?
B9 B4 B5 C1 -133.5(3) . . . . ?
B9 B4 B5 B6 -100.3(4) . . . . ?
B9 B4 B5 B10 -36.1(3) . . . . ?
B9 B8 B7 Rh2 116.2(3) . . . . ?
B9 B8 B7 C2 57.4(4) . . . . ?
B9 B8 B7 B12 -39.5(3) . . . . ?
B9 B8 B7 B11 -4.7(4) . . . . ?
B9 B8 B12 B7 134.7(3) . . . . ?
B9 B8 B12 B11 98.8(3) . . . . ?
B9 B8 B12 B10 35.1(3) . . . . ?
B9 B5 B10 B6 -140.2(3) . . . . ?
B9 B5 B10 B12 -38.8(3) . . . . ?
B9 B5 B10 B11 -101.4(3) . . . . ?
B9 B12 B11 C2 63.2(4) . . . . ?
B9 B12 B11 B7 100.5(3) . . . . ?
B9 B12 B11 B6 0.2(4) . . . . ?
B9 B12 B11 B10 -37.0(3) . . . . ?
B9 B12 B10 B6 101.5(4) . . . . ?
B9 B12 B10 B5 38.9(3) . . . . ?
B9 B12 B10 B11 138.3(3) . . . . ?
B12 B8 B7 Rh2 155.8(2) . . . . ?
B12 B8 B7 C2 96.9(3) . . . . ?
B12 B8 B7 B11 34.8(3) . . . . ?
B12 B8 B9 B4 -136.9(3) . . . . ?
B12 B8 B9 B5 -99.7(3) . . . . ?
B12 B8 B9 B10 -35.6(3) . . . . ?
B12 B7 B11 C2 136.8(3) . . . . ?
B12 B7 B11 B6 101.8(3) . . . . ?
B12 B7 B11 B10 38.4(3) . . . . ?
B12 B9 B10 B6 -100.2(3) . . . . ?
B12 B9 B10 B5 -135.8(3) . . . . ?
B12 B9 B10 B11 -37.2(3) . . . . ?
B12 B11 B10 B6 138.5(3) . . . . ?
B12 B11 B10 B5 99.8(3) . . . . ?
B12 B11 B10 B9 37.0(3) . . . . ?
B11 C2 C3 C4 23.4(6) . . . . ?
B11 C2 B7 Rh2 -156.9(2) . . . . ?
B11 C2 B7 B8 -99.7(3) . . . . ?
B11 C2 B7 B12 -37.6(3) . . . . ?
B11 C2 B6 C1 135.8(3) . . . . ?
B11 C2 B6 B5 102.3(3) . . . . ?
B11 C2 B6 B10 39.3(3) . . . . ?
B11 B7 B12 B8 -140.8(3) . . . . ?
B11 B7 B12 B9 -100.5(3) . . . . ?
B11 B7 B12 B10 -37.6(3) . . . . ?
B11 B6 B5 C1 93.9(3) . . . . ?
B11 B6 B5 B4 60.9(4) . . . . ?
B11 B6 B5 B9 -3.6(4) . . . . ?
B11 B6 B5 B10 -39.6(3) . . . . ?
B11 B6 B10 B5 135.8(3) . . . . ?
B11 B6 B10 B9 100.0(3) . . . . ?
B11 B6 B10 B12 37.0(3) . . . . ?
B11 B12 B10 B6 -36.8(3) . . . . ?
B11 B12 B10 B5 -99.4(4) . . . . ?
B11 B12 B10 B9 -138.3(3) . . . . ?
C12 Rh1 N3 C20 74(13) . . . . ?
C12 Rh1 C7 N1 -15.6(8) . . . . ?
C12 Rh1 C7 N2 169.6(4) . . . . ?
C12 Rh1 C13 C14 -122.2(4) . . . . ?
C12 Rh1 C16 C15 43.2(3) . . . . ?
C12 Rh1 C16 C17 -77.6(2) . . . . ?
C12 Rh1 C17 C16 99.0(2) . . . . ?
C12 Rh1 C17 C18 -23.7(3) . . . . ?
C12 C13 C14 C15 -45.2(5) . . . . ?
B10 B6 B5 C1 133.4(3) . . . . ?
B10 B6 B5 B4 100.5(4) . . . . ?
B10 B6 B5 B9 35.9(3) . . . . ?
B10 B6 B11 C2 -135.7(3) . . . . ?
B10 B6 B11 B7 -101.3(3) . . . . ?
B10 B6 B11 B12 -37.5(3) . . . . ?
B10 B5 B9 B4 140.1(3) . . . . ?
B10 B5 B9 B8 103.0(3) . . . . ?
B10 B5 B9 B12 39.6(3) . . . . ?
B10 B9 B12 B8 141.2(3) . . . . ?
B10 B9 B12 B7 100.4(3) . . . . ?
B10 B9 B12 B11 36.8(3) . . . . ?
B10 B12 B11 C2 100.2(3) . . . . ?
B10 B12 B11 B7 137.4(3) . . . . ?
B10 B12 B11 B6 37.2(3) . . . . ?
C13 Rh1 N3 C20 111(13) . . . . ?
C13 Rh1 C7 N1 160.1(4) . . . . ?
C13 Rh1 C7 N2 -14.7(6) . . . . ?
C13 Rh1 C12 C19 120.6(4) . . . . ?
C13 Rh1 C16 C15 7.1(3) . . . . ?
C13 Rh1 C16 C17 -113.7(2) . . . . ?
C13 Rh1 C17 C16 66.0(2) . . . . ?
C13 Rh1 C17 C18 -56.7(3) . . . . ?
C13 C12 C19 C18 95.9(5) . . . . ?
C13 C14 C15 C16 -31.1(5) . . . . ?
C14 C15 C16 Rh1 10.4(4) . . . . ?
C14 C15 C16 C17 92.3(5) . . . . ?
C15 C16 C17 Rh1 -105.2(4) . . . . ?
C15 C16 C17 C18 -4.1(6) . . . . ?
C16 Rh1 N3 C20 170(13) . . . . ?
C16 Rh1 C7 N1 -119.6(4) . . . . ?
C16 Rh1 C7 N2 65.6(3) . . . . ?
C16 Rh1 C12 C13 -77.7(3) . . . . ?
C16 Rh1 C12 C19 42.9(3) . . . . ?
C16 Rh1 C13 C12 99.1(3) . . . . ?
C16 Rh1 C13 C14 -23.1(3) . . . . ?
C16 Rh1 C17 C18 -122.7(4) . . . . ?
C16 C17 C18 C19 -41.4(5) . . . . ?
C17 Rh1 N3 C20 2(13) . . . . ?
C17 Rh1 C7 N1 -81.4(4) . . . . ?
C17 Rh1 C7 N2 103.8(3) . . . . ?
C17 Rh1 C12 C13 -115.4(3) . . . . ?
C17 Rh1 C12 C19 5.2(3) . . . . ?
C17 Rh1 C13 C12 64.2(3) . . . . ?
C17 Rh1 C13 C14 -57.9(3) . . . . ?
C17 Rh1 C16 C15 120.8(4) . . . . ?
C17 C18 C19 C12 -35.3(5) . . . . ?
C19 C12 C13 Rh1 -104.0(4) . . . . ?
C19 C12 C13 C14 -3.8(6) . . . . ?
C22 Rh2 C2 C1 -44.4(3) . . . . ?
C22 Rh2 C2 C3 74.1(3) . . . . ?
C22 Rh2 C2 B7 -168.0(2) . . . . ?
C22 Rh2 C2 B6 -66.9(4) . . . . ?
C22 Rh2 C2 B11 -143.1(3) . . . . ?
C22 Rh2 B4 C1 111.6(2) . . . . ?
C22 Rh2 B4 B8 -129.8(2) . . . . ?
C22 Rh2 B4 B5 131.9(3) . . . . ?
C22 Rh2 B4 B9 -157.1(3) . . . . ?
C22 Rh2 B8 B4 64.0(2) . . . . ?
C22 Rh2 B8 B7 -175.54(19) . . . . ?
C22 Rh2 B8 B9 90.6(3) . . . . ?
C22 Rh2 B8 B12 160.4(2) . . . . ?
C22 Rh2 B7 C2 141.1(7) . . . . ?
C22 Rh2 B7 B8 19.8(8) . . . . ?
C22 Rh2 B7 B12 44.4(9) . . . . ?
C22 Rh2 B7 B11 117.1(7) . . . . ?
C22 Rh2 C25 C24 20.5(3) . . . . ?
C22 Rh2 C25 C26 -100.6(2) . . . . ?
C22 Rh2 C26 C25 75.9(2) . . . . ?
C22 Rh2 C26 C27 -42.1(3) . . . . ?
C22 Rh2 C29 C28 120.8(4) . . . . ?
C22 C23 C24 C25 28.5(5) . . . . ?
C23 C22 C29 Rh2 106.4(4) . . . . ?
C23 C22 C29 C28 2.0(6) . . . . ?
C23 C24 C25 Rh2 -33.0(4) . . . . ?
C23 C24 C25 C26 49.2(5) . . . . ?
C24 C25 C26 Rh2 -104.4(4) . . . . ?
C24 C25 C26 C27 2.3(6) . . . . ?
C25 Rh2 C2 C1 168.2(2) . . . . ?
C25 Rh2 C2 C3 -73.3(3) . . . . ?
C25 Rh2 C2 B7 44.6(3) . . . . ?
C25 Rh2 C2 B6 145.7(3) . . . . ?
C25 Rh2 C2 B11 69.5(3) . . . . ?
C25 Rh2 B4 C1 -166.3(2) . . . . ?
C25 Rh2 B4 B8 -47.7(3) . . . . ?
C25 Rh2 B4 B5 -146.0(3) . . . . ?
C25 Rh2 B4 B9 -75.0(3) . . . . ?
C25 Rh2 B8 B4 145.6(2) . . . . ?
C25 Rh2 B8 B7 -93.9(2) . . . . ?
C25 Rh2 B8 B9 172.2(3) . . . . ?
C25 Rh2 B8 B12 -118.0(3) . . . . ?
C25 Rh2 B7 C2 -148.1(2) . . . . ?
C25 Rh2 B7 B8 90.64(19) . . . . ?
C25 Rh2 B7 B12 115.2(3) . . . . ?
C25 Rh2 B7 B11 -172.1(3) . . . . ?
C25 Rh2 C22 C23 -5.0(3) . . . . ?
C25 Rh2 C22 C29 114.0(3) . . . . ?
C25 Rh2 C26 C27 -118.0(4) . . . . ?
C25 Rh2 C29 C22 -65.2(3) . . . . ?
C25 Rh2 C29 C28 55.6(3) . . . . ?
C25 C26 C27 C28 -92.6(5) . . . . ?
C26 Rh2 C2 C1 -157.0(2) . . . . ?
C26 Rh2 C2 C3 -38.6(3) . . . . ?
C26 Rh2 C2 B7 79.4(2) . . . . ?
C26 Rh2 C2 B6 -179.5(3) . . . . ?
C26 Rh2 C2 B11 104.3(3) . . . . ?
C26 Rh2 B4 C1 -138.2(7) . . . . ?
C26 Rh2 B4 B8 -19.6(8) . . . . ?
C26 Rh2 B4 B5 -117.8(7) . . . . ?
C26 Rh2 B4 B9 -46.9(8) . . . . ?
C26 Rh2 B8 B4 175.1(2) . . . . ?
C26 Rh2 B8 B7 -64.4(2) . . . . ?
C26 Rh2 B8 B9 -158.3(3) . . . . ?
C26 Rh2 B8 B12 -88.5(3) . . . . ?
C26 Rh2 B7 C2 -109.1(2) . . . . ?
C26 Rh2 B7 B8 129.62(19) . . . . ?
C26 Rh2 B7 B12 154.2(3) . . . . ?
C26 Rh2 B7 B11 -133.1(3) . . . . ?
C26 Rh2 C22 C23 -43.0(3) . . . . ?
C26 Rh2 C22 C29 76.0(2) . . . . ?
C26 Rh2 C25 C24 121.0(4) . . . . ?
C26 Rh2 C29 C22 -100.6(3) . . . . ?
C26 Rh2 C29 C28 20.2(3) . . . . ?
C26 C27 C28 C29 28.5(5) . . . . ?
C27 C28 C29 Rh2 -32.5(5) . . . . ?
C27 C28 C29 C22 49.7(6) . . . . ?
C29 Rh2 C2 C1 -70.7(2) . . . . ?
C29 Rh2 C2 C3 47.7(3) . . . . ?
C29 Rh2 C2 B7 165.7(2) . . . . ?
C29 Rh2 C2 B6 -93.2(3) . . . . ?
C29 Rh2 C2 B11 -169.4(3) . . . . ?
C29 Rh2 B4 C1 75.3(2) . . . . ?
C29 Rh2 B4 B8 -166.1(2) . . . . ?
C29 Rh2 B4 B5 95.6(3) . . . . ?
C29 Rh2 B4 B9 166.6(3) . . . . ?
C29 Rh2 B8 B4 30.4(4) . . . . ?
C29 Rh2 B8 B7 150.9(3) . . . . ?
C29 Rh2 B8 B9 57.0(5) . . . . ?
C29 Rh2 B8 B12 126.8(4) . . . . ?
C29 Rh2 B7 C2 -30.3(4) . . . . ?
C29 Rh2 B7 B8 -151.6(3) . . . . ?
C29 Rh2 B7 B12 -127.0(4) . . . . ?
C29 Rh2 B7 B11 -54.3(5) . . . . ?
C29 Rh2 C22 C23 -119.0(4) . . . . ?
C29 Rh2 C25 C24 55.2(3) . . . . ?
C29 Rh2 C25 C26 -65.9(3) . . . . ?
C29 Rh2 C26 C25 113.4(3) . . . . ?
C29 Rh2 C26 C27 -4.6(3) . . . . ?
C29 C22 C23 C24 -92.7(5) . . . . ?

loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
16 7 -10 0.0674 16.0079 6.9976 -10.0041 0.4781 -0.8509 0.2781
-4 28 19 0.0763 -4.0097 28.0096 18.9954 0.1726 0.6004 0.8066
4 -28 -19 0.0763 4.0097 -28.0096 -18.9954 -0.1726 -0.6004 -0.8066
0 30 -16 0.0358 -0.0206 29.9939 -15.9955 0.9393 0.2416 0.2489
0 -30 16 0.0358 0.0206 -29.9939 15.9955 -0.9393 -0.2416 -0.2489
3 32 -9 0.0464 2.9841 31.9977 -8.9991 0.8679 0.1299 0.4864
15 5 15 0.0850 15.0177 5.0090 14.9885 -0.0658 -0.7026 0.7055
14 -4 -20 0.0736 14.0073 -4.0078 -19.9999 0.4302 -0.9023 -0.1644
3 -8 -34 0.0915 2.9933 -8.0158 -33.9906 0.5307 -0.4043 -0.7464
4 -15 31 0.0513 4.0231 -14.9858 30.9888 -0.8902 -0.2352 0.4083
5 -26 20 0.0328 5.0250 -25.9913 19.9920 -0.8930 -0.4559 0.0104
-16 11 -7 0.0290 -16.0231 10.9953 -6.9909 0.2317 0.9620 -0.2727
6 28 -15 0.0374 5.9865 27.9951 -14.9985 0.9287 -0.1043 0.3592
1 24 -25 0.0426 0.9797 23.9896 -24.9931 1.0009 0.0825 -0.0168

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Complex-4
_database_code_depnum_ccdc_archive 'CCDC 1444075'
_audit_update_record             
;
2015-12-23 deposited with the CCDC.
2016-04-12 downloaded from the CCDC.
;
_audit_creation_date             2015-09-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C29 H52 B9 N3 Rh2, C3 H6 O'
_chemical_formula_sum            'C32 H58 B9 N3 O Rh2'
_chemical_formula_weight         803.92
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C17 H21 N2 Rh2 B10'
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'
B B 0.0013 0.0007 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   11.1781(5)
_cell_length_b                   12.5631(5)
_cell_length_c                   14.8258(7)
_cell_angle_alpha                111.322(4)
_cell_angle_beta                 92.917(4)
_cell_angle_gamma                105.326(4)
_cell_volume                     1845.33(15)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9770
_cell_measurement_temperature    120.01(11)
_cell_measurement_theta_max      30.7360
_cell_measurement_theta_min      3.2670
_exptl_absorpt_coefficient_mu    0.925
_exptl_absorpt_correction_T_max  0.951
_exptl_absorpt_correction_T_min  0.882
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.447
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             828
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.06
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0440
_diffrn_reflns_av_unetI/netI     0.0615
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            21395
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         2.99
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      120.01(11)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.3095
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -12.00   74.00   1.0000   14.0000
omega____ theta____ kappa____ phi______ frames
    -       12.9509   57.0000   60.0000 86

#__ type_ start__ end____ width___ exp.time_
  2 omega   -7.00   83.00   1.0000   14.0000
omega____ theta____ kappa____ phi______ frames
    -       12.9509   37.0000  150.0000 90

#__ type_ start__ end____ width___ exp.time_
  3 omega  -11.00   81.00   1.0000   14.0000
omega____ theta____ kappa____ phi______ frames
    -       12.9509   57.0000 -120.0000 92

#__ type_ start__ end____ width___ exp.time_
  4 omega  -24.00   27.00   1.0000   14.0000
omega____ theta____ kappa____ phi______ frames
    -       12.9509  -57.0000  -60.0000 51

#__ type_ start__ end____ width___ exp.time_
  5 omega  -29.00   -2.00   1.0000   14.0000
omega____ theta____ kappa____ phi______ frames
    -      -13.7322  -57.0000    0.0000 27

#__ type_ start__ end____ width___ exp.time_
  6 omega  -42.00   -5.00   1.0000   14.0000
omega____ theta____ kappa____ phi______ frames
    -      -13.7322  -65.0000 -147.1798 37

#__ type_ start__ end____ width___ exp.time_
  7 omega  -64.00  -37.00   1.0000   14.0000
omega____ theta____ kappa____ phi______ frames
    -      -13.7322  -37.0000  150.0000 27
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0174447000
_diffrn_orient_matrix_UB_12      0.0299218000
_diffrn_orient_matrix_UB_13      0.0517125000
_diffrn_orient_matrix_UB_21      -0.0562772000
_diffrn_orient_matrix_UB_22      -0.0371809000
_diffrn_orient_matrix_UB_23      0.0061953000
_diffrn_orient_matrix_UB_31      0.0313578000
_diffrn_orient_matrix_UB_32      -0.0421671000
_diffrn_orient_matrix_UB_33      0.0004455000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                7691
_reflns_number_total             9142
_reflns_odcompleteness_completeness 99.85
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     28.22
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.001
_refine_diff_density_min         -0.936
_refine_diff_density_rms         0.108
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     430
_refine_ls_number_reflns         9142
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0490
_refine_ls_R_factor_gt           0.0387
_refine_ls_restrained_S_all      1.037
_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)+(0.0265P)²+1.1205P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0791
_refine_ls_wR_factor_ref         0.0855
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C12(H12A), C13(H13), C16(H16), C17(H17), C22(H22), C23(H23), C26(H26), C27(H27)
2.b Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C4(H4A,H4B), C14(H14A,H14B), C15(H15A,H15B), C18(H18A,H18B),
 C19(H19A,H19B), C24(H24A,H24B), C25(H25A,H25B), C28(H28A,H28B), C29(H29A,H29B)
2.c Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6)
2.d Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C21(H21A,H21B,
 H21C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C)
2.e Boron cage BH refined with riding coordinates:
 C1(H1), B4(H4), B8(H8), B7(H7), B6(H6A), B5(H5A), B9(H9), B12(H12), B11(H11),
 B10(H10)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
Rh1 Rh 0.40778(2) 0.908661(18) 0.250735(15) 0.01438(6) Uani 1 d . . .
N1 N 0.2077(2) 0.9873(2) 0.37778(16) 0.0153(5) Uani 1 d . . .
C1 C 0.8016(3) 1.4996(3) 0.3421(2) 0.0195(6) Uani 1 d . . .
H1 H 0.8684 1.5722 0.4050 0.023 Uiso 1 calc . . R
Rh2 Rh 0.889440(19) 1.351558(18) 0.266234(15) 0.01329(6) Uani 1 d . . .
N2 N 0.3754(2) 1.1334(2) 0.40093(16) 0.0137(5) Uani 1 d . . .
C2 C 0.5832(3) 1.3229(2) 0.28094(19) 0.0138(5) Uani 1 d . . .
N3 N 0.3247(2) 0.9423(2) 0.13992(17) 0.0186(5) Uani 1 d . . .
C3 C 0.4669(3) 1.2530(3) 0.3083(2) 0.0175(6) Uani 1 d . . .
H3A H 0.4144 1.3046 0.3315 0.021 Uiso 1 calc . . R
H3B H 0.4191 1.1855 0.2494 0.021 Uiso 1 calc . . R
C4 C 0.4933(3) 1.2060(2) 0.3863(2) 0.0160(5) Uani 1 d . . .
H4A H 0.5494 1.1576 0.3659 0.019 Uiso 1 calc . . R
H4B H 0.5343 1.2728 0.4476 0.019 Uiso 1 calc . . R
B4 B 0.8219(3) 1.4803(3) 0.2239(3) 0.0232(7) Uani 1 d . . .
H4 H 0.9034 1.5360 0.2062 0.028 Uiso 1 calc . . R
C5 C 0.2961(3) 1.1810(3) 0.4607(2) 0.0195(6) Uani 1 d . . .
H5 H 0.3120 1.2607 0.5029 0.023 Uiso 1 calc . . R
B8 B 0.7421(3) 1.3236(3) 0.1437(2) 0.0184(7) Uani 1 d . . .
H8 H 0.7670 1.2770 0.0722 0.022 Uiso 1 calc . . R
C6 C 0.1926(3) 1.0912(3) 0.4467(2) 0.0201(6) Uani 1 d . . .
H6 H 0.1227 1.0968 0.4774 0.024 Uiso 1 calc . . R
B7 B 0.6850(3) 1.2479(3) 0.2206(2) 0.0154(6) Uani 1 d . . .
H7 H 0.6701 1.1515 0.2008 0.019 Uiso 1 calc . . R
C7 C 0.3228(2) 1.0142(2) 0.34923(19) 0.0144(5) Uani 1 d . . .
B6 B 0.6496(3) 1.4702(3) 0.3568(2) 0.0175(6) Uani 1 d . . .
H6A H 0.6174 1.5147 0.4256 0.021 Uiso 1 calc . . R
C8 C 0.1102(3) 0.8678(3) 0.3461(2) 0.0204(6) Uani 1 d . . .
B5 B 0.7057(3) 1.5443(3) 0.2798(3) 0.0237(7) Uani 1 d . . .
H5A H 0.7119 1.6386 0.2969 0.028 Uiso 1 calc . . R
C9 C 0.1324(3) 0.7777(3) 0.2522(2) 0.0293(7) Uani 1 d . . .
H9A H 0.1316 0.8075 0.2011 0.044 Uiso 1 calc . . GR
H9B H 0.0672 0.7027 0.2328 0.044 Uiso 1 calc . . GR
H9C H 0.2125 0.7661 0.2635 0.044 Uiso 1 calc . . GR
B9 B 0.6669(3) 1.4372(3) 0.1579(3) 0.0237(7) Uani 1 d . . .
H9 H 0.6489 1.4631 0.0964 0.028 Uiso 1 calc . . R
C10 C 0.1122(3) 0.8225(3) 0.4283(2) 0.0277(7) Uani 1 d . . .
H10A H 0.1930 0.8130 0.4409 0.042 Uiso 1 calc . . GR
H10B H 0.0483 0.7467 0.4092 0.042 Uiso 1 calc . . GR
H10C H 0.0965 0.8793 0.4867 0.042 Uiso 1 calc . . GR
B12 B 0.5822(3) 1.2961(3) 0.1591(2) 0.0181(6) Uani 1 d . . .
H12 H 0.5060 1.2301 0.0996 0.022 Uiso 1 calc . . R
C11 C -0.0191(3) 0.8815(3) 0.3239(2) 0.0252(7) Uani 1 d . . .
H11A H -0.0355 0.9395 0.3812 0.038 Uiso 1 calc . . GR
H11B H -0.0827 0.8057 0.3058 0.038 Uiso 1 calc . . GR
H11C H -0.0201 0.9080 0.2708 0.038 Uiso 1 calc . . GR
B11 B 0.7342(3) 1.3624(3) 0.3457(2) 0.0146(6) Uani 1 d . . .
H11 H 0.7561 1.3399 0.4085 0.017 Uiso 1 calc . . R
C12 C 0.5505(3) 0.9386(3) 0.3646(2) 0.0212(6) Uani 1 d . . .
H12A H 0.5539 1.0051 0.4263 0.025 Uiso 1 calc . . R
B10 B 0.5600(3) 1.4300(3) 0.2418(2) 0.0186(7) Uani 1 d . . .
H10 H 0.4701 1.4489 0.2353 0.022 Uiso 1 calc . . R
C13 C 0.4561(3) 0.8327(3) 0.3486(2) 0.0202(6) Uani 1 d . . .
H13 H 0.4051 0.8389 0.4011 0.024 Uiso 1 calc . . R
C14 C 0.4661(3) 0.7075(3) 0.2953(3) 0.0335(8) Uani 1 d . . .
H14A H 0.5509 0.7081 0.3135 0.040 Uiso 1 calc . . R
H14B H 0.4095 0.6529 0.3178 0.040 Uiso 1 calc . . R
C15 C 0.4369(5) 0.6605(4) 0.1875(3) 0.0600(14) Uani 1 d . . .
H15A H 0.3522 0.6053 0.1669 0.072 Uiso 1 calc . . R
H15B H 0.4935 0.6147 0.1605 0.072 Uiso 1 calc . . R
C16 C 0.4464(3) 0.7534(3) 0.1427(2) 0.0321(8) Uani 1 d . . .
H16 H 0.3949 0.7220 0.0778 0.039 Uiso 1 calc . . R
C17 C 0.5471(3) 0.8524(3) 0.1601(2) 0.0323(8) Uani 1 d . . .
H17 H 0.5565 0.8792 0.1057 0.039 Uiso 1 calc . . R
C18 C 0.6686(4) 0.8770(5) 0.2247(3) 0.0597(14) Uani 1 d . . .
H18A H 0.6812 0.8008 0.2168 0.072 Uiso 1 calc . . R
H18B H 0.7374 0.9200 0.2018 0.072 Uiso 1 calc . . R
C19 C 0.6750(3) 0.9453(4) 0.3285(3) 0.0369(8) Uani 1 d . . .
H19A H 0.7193 1.0287 0.3431 0.044 Uiso 1 calc . . R
H19B H 0.7247 0.9175 0.3654 0.044 Uiso 1 calc . . R
C20 C 0.2763(3) 0.9545(3) 0.0767(2) 0.0226(6) Uani 1 d . . .
C21 C 0.2131(4) 0.9697(3) -0.0039(2) 0.0390(9) Uani 1 d . . .
H21A H 0.2313 0.9203 -0.0649 0.058 Uiso 1 calc . . GR
H21B H 0.2424 1.0522 0.0042 0.058 Uiso 1 calc . . GR
H21C H 0.1240 0.9467 -0.0044 0.058 Uiso 1 calc . . GR
C22 C 1.0087(3) 1.3482(3) 0.3849(2) 0.0247(7) Uani 1 d . . .
H22 H 0.9808 1.3752 0.4487 0.030 Uiso 1 calc . . R
C23 C 0.9411(3) 1.2302(3) 0.3215(2) 0.0251(7) Uani 1 d . . .
H23 H 0.8750 1.1895 0.3492 0.030 Uiso 1 calc . . R
C24 C 0.9999(3) 1.1473(3) 0.2485(3) 0.0295(7) Uani 1 d . . .
H24A H 0.9341 1.0752 0.2064 0.035 Uiso 1 calc . . R
H24B H 1.0567 1.1240 0.2840 0.035 Uiso 1 calc . . R
C25 C 1.0727(3) 1.2049(3) 0.1844(2) 0.0285(7) Uani 1 d . . .
H25A H 1.1609 1.2395 0.2136 0.034 Uiso 1 calc . . R
H25B H 1.0662 1.1433 0.1200 0.034 Uiso 1 calc . . R
C26 C 1.0232(3) 1.3023(3) 0.1732(2) 0.0234(7) Uani 1 d . . .
H26 H 0.9976 1.2889 0.1048 0.028 Uiso 1 calc . . R
C27 C 1.0725(3) 1.4231(3) 0.2350(2) 0.0247(7) Uani 1 d . . .
H27 H 1.0748 1.4779 0.2016 0.030 Uiso 1 calc . . R
C28 C 1.1742(3) 1.4714(3) 0.3225(3) 0.0322(8) Uani 1 d . . .
H28A H 1.1816 1.5547 0.3605 0.039 Uiso 1 calc . . R
H28B H 1.2537 1.4683 0.3001 0.039 Uiso 1 calc . . R
C29 C 1.1483(3) 1.4014(3) 0.3882(2) 0.0267(7) Uani 1 d . . .
H29A H 1.1866 1.3373 0.3676 0.032 Uiso 1 calc . . R
H29B H 1.1870 1.4544 0.4553 0.032 Uiso 1 calc . . R
O1 O 0.9120(3) 0.8171(3) 0.06361(18) 0.0477(7) Uani 1 d . . .
C30 C 0.8490(4) 0.7124(3) 0.0268(2) 0.0339(8) Uani 1 d . . .
C31 C 0.9015(4) 0.6123(4) 0.0218(3) 0.0436(10) Uani 1 d . . .
H31A H 0.9917 0.6419 0.0343 0.065 Uiso 1 calc . . GR
H31B H 0.8738 0.5490 -0.0422 0.065 Uiso 1 calc . . GR
H31C H 0.8726 0.5821 0.0703 0.065 Uiso 1 calc . . GR
C32 C 0.7139(4) 0.6739(4) -0.0160(3) 0.0442(9) Uani 1 d . . .
H32A H 0.6840 0.7426 0.0018 0.066 Uiso 1 calc . . GR
H32B H 0.6663 0.6180 0.0088 0.066 Uiso 1 calc . . GR
H32C H 0.7041 0.6363 -0.0861 0.066 Uiso 1 calc . . GR


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
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 N3 2.073(2) . ?
Rh1 C7 2.048(3) . ?
Rh1 C12 2.118(3) . ?
Rh1 C13 2.123(3) . ?
Rh1 C16 2.192(3) . ?
Rh1 C17 2.199(3) . ?
N1 C6 1.393(3) . ?
N1 C7 1.371(3) . ?
N1 C8 1.493(4) . ?
C1 H1 1.1000 . ?
C1 Rh2 2.290(3) . ?
C1 B4 1.715(4) . ?
C1 B6 1.683(4) . ?
C1 B5 1.707(4) . ?
C1 B11 1.711(4) . ?
Rh2 B4 2.217(3) . ?
Rh2 B8 2.250(3) . ?
Rh2 B7 2.237(3) . ?
Rh2 B11 2.153(3) . ?
Rh2 C22 2.173(3) . ?
Rh2 C23 2.158(3) . ?
Rh2 C26 2.144(3) . ?
Rh2 C27 2.153(3) . ?
N2 C4 1.467(3) . ?
N2 C5 1.380(3) . ?
N2 C7 1.353(3) . ?
C2 C3 1.528(4) . ?
C2 B7 1.744(4) . ?
C2 B6 1.707(4) . ?
C2 B12 1.712(4) . ?
C2 B11 1.750(4) . ?
C2 B10 1.717(4) . ?
N3 C20 1.136(4) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 C4 1.527(4) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
B4 H4 1.1000 . ?
B4 B8 1.829(5) . ?
B4 B5 1.788(5) . ?
B4 B9 1.789(5) . ?
C5 H5 0.9300 . ?
C5 C6 1.330(4) . ?
B8 H8 1.1000 . ?
B8 B7 1.777(5) . ?
B8 B9 1.794(4) . ?
B8 B12 1.771(5) . ?
C6 H6 0.9300 . ?
B7 H7 1.1000 . ?
B7 B12 1.784(4) . ?
B7 B11 1.830(4) . ?
B6 H6A 1.1000 . ?
B6 B5 1.761(5) . ?
B6 B11 1.813(4) . ?
B6 B10 1.760(5) . ?
C8 C9 1.523(4) . ?
C8 C10 1.523(4) . ?
C8 C11 1.534(4) . ?
B5 H5A 1.1000 . ?
B5 B9 1.763(5) . ?
B5 B10 1.764(5) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
B9 H9 1.1000 . ?
B9 B12 1.782(5) . ?
B9 B10 1.778(5) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
B12 H12 1.1000 . ?
B12 B10 1.774(4) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
B11 H11 1.1000 . ?
C12 H12A 0.9800 . ?
C12 C13 1.394(4) . ?
C12 C19 1.509(4) . ?
B10 H10 1.1000 . ?
C13 H13 0.9800 . ?
C13 C14 1.520(4) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 C15 1.473(5) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C16 1.523(5) . ?
C16 H16 0.9800 . ?
C16 C17 1.371(5) . ?
C17 H17 0.9800 . ?
C17 C18 1.512(5) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 C19 1.451(5) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 C21 1.455(4) . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22 0.9800 . ?
C22 C23 1.404(5) . ?
C22 C29 1.517(4) . ?
C23 H23 0.9800 . ?
C23 C24 1.518(4) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 C25 1.535(5) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C25 C26 1.526(4) . ?
C26 H26 0.9800 . ?
C26 C27 1.393(5) . ?
C27 H27 0.9800 . ?
C27 C28 1.502(5) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C28 C29 1.524(5) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
O1 C30 1.213(4) . ?
C30 C31 1.503(5) . ?
C30 C32 1.487(5) . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?

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
N3 Rh1 C12 155.79(11) . . ?
N3 Rh1 C13 165.58(11) . . ?
N3 Rh1 C16 91.02(10) . . ?
N3 Rh1 C17 90.43(11) . . ?
C7 Rh1 N3 89.55(9) . . ?
C7 Rh1 C12 90.88(11) . . ?
C7 Rh1 C13 93.31(10) . . ?
C7 Rh1 C16 162.50(13) . . ?
C7 Rh1 C17 161.12(13) . . ?
C12 Rh1 C13 38.39(11) . . ?
C12 Rh1 C16 95.70(12) . . ?
C12 Rh1 C17 81.54(12) . . ?
C13 Rh1 C16 82.05(11) . . ?
C13 Rh1 C17 91.39(12) . . ?
C16 Rh1 C17 36.38(14) . . ?
C6 N1 C8 122.4(2) . . ?
C7 N1 C6 109.3(2) . . ?
C7 N1 C8 128.3(2) . . ?
Rh2 C1 H1 110.5 . . ?
B4 C1 H1 121.1 . . ?
B4 C1 Rh2 65.39(14) . . ?
B6 C1 H1 115.4 . . ?
B6 C1 Rh2 122.59(18) . . ?
B6 C1 B4 113.1(2) . . ?
B6 C1 B5 62.59(19) . . ?
B6 C1 B11 64.54(18) . . ?
B5 C1 H1 115.3 . . ?
B5 C1 Rh2 123.20(19) . . ?
B5 C1 B4 63.00(19) . . ?
B5 C1 B11 114.4(2) . . ?
B11 C1 H1 120.8 . . ?
B11 C1 Rh2 63.17(13) . . ?
B11 C1 B4 108.9(2) . . ?
B4 Rh2 C1 44.70(12) . . ?
B4 Rh2 B8 48.34(13) . . ?
B4 Rh2 B7 81.16(12) . . ?
B8 Rh2 C1 78.64(10) . . ?
B7 Rh2 C1 79.50(11) . . ?
B7 Rh2 B8 46.65(12) . . ?
B11 Rh2 C1 45.16(11) . . ?
B11 Rh2 B4 79.28(12) . . ?
B11 Rh2 B8 81.14(11) . . ?
B11 Rh2 B7 49.22(11) . . ?
B11 Rh2 C22 93.76(11) . . ?
B11 Rh2 C23 93.86(11) . . ?
B11 Rh2 C27 153.89(12) . . ?
C22 Rh2 C1 104.39(11) . . ?
C22 Rh2 B4 140.04(13) . . ?
C22 Rh2 B8 169.39(13) . . ?
C22 Rh2 B7 123.38(12) . . ?
C23 Rh2 C1 128.59(11) . . ?
C23 Rh2 B4 172.92(12) . . ?
C23 Rh2 B8 132.77(13) . . ?
C23 Rh2 B7 95.74(12) . . ?
C23 Rh2 C22 37.84(12) . . ?
C26 Rh2 C1 145.24(11) . . ?
C26 Rh2 B4 106.65(12) . . ?
C26 Rh2 B8 95.14(11) . . ?
C26 Rh2 B7 120.73(12) . . ?
C26 Rh2 B11 168.22(12) . . ?
C26 Rh2 C22 88.01(11) . . ?
C26 Rh2 C23 80.41(11) . . ?
C26 Rh2 C27 37.82(12) . . ?
C27 Rh2 C1 111.75(11) . . ?
C27 Rh2 B4 89.67(12) . . ?
C27 Rh2 B8 109.00(12) . . ?
C27 Rh2 B7 152.37(12) . . ?
C27 Rh2 C22 79.57(12) . . ?
C27 Rh2 C23 95.88(11) . . ?
C5 N2 C4 123.8(2) . . ?
C7 N2 C4 124.7(2) . . ?
C7 N2 C5 111.0(2) . . ?
C3 C2 B7 119.3(2) . . ?
C3 C2 B6 116.9(2) . . ?
C3 C2 B12 117.0(2) . . ?
C3 C2 B11 122.0(2) . . ?
C3 C2 B10 114.6(2) . . ?
B7 C2 B11 63.16(16) . . ?
B6 C2 B7 116.3(2) . . ?
B6 C2 B12 113.6(2) . . ?
B6 C2 B11 63.22(17) . . ?
B6 C2 B10 61.86(18) . . ?
B12 C2 B7 62.16(16) . . ?
B12 C2 B11 113.0(2) . . ?
B12 C2 B10 62.28(17) . . ?
B10 C2 B7 114.7(2) . . ?
B10 C2 B11 113.5(2) . . ?
C20 N3 Rh1 176.4(2) . . ?
C2 C3 H3A 108.5 . . ?
C2 C3 H3B 108.5 . . ?
H3A C3 H3B 107.5 . . ?
C4 C3 C2 115.2(2) . . ?
C4 C3 H3A 108.5 . . ?
C4 C3 H3B 108.5 . . ?
N2 C4 C3 110.1(2) . . ?
N2 C4 H4A 109.6 . . ?
N2 C4 H4B 109.6 . . ?
C3 C4 H4A 109.6 . . ?
C3 C4 H4B 109.6 . . ?
H4A C4 H4B 108.2 . . ?
C1 B4 Rh2 69.92(14) . . ?
C1 B4 H4 122.8 . . ?
C1 B4 B8 108.5(2) . . ?
C1 B4 B5 58.26(18) . . ?
C1 B4 B9 105.2(2) . . ?
Rh2 B4 H4 106.5 . . ?
B8 B4 Rh2 66.79(14) . . ?
B8 B4 H4 122.5 . . ?
B5 B4 Rh2 123.1(2) . . ?
B5 B4 H4 119.9 . . ?
B5 B4 B8 107.7(2) . . ?
B5 B4 B9 59.09(19) . . ?
B9 B4 Rh2 120.9(2) . . ?
B9 B4 H4 121.5 . . ?
B9 B4 B8 59.45(19) . . ?
N2 C5 H5 126.5 . . ?
C6 C5 N2 107.0(2) . . ?
C6 C5 H5 126.5 . . ?
Rh2 B8 H8 110.3 . . ?
B4 B8 Rh2 64.88(14) . . ?
B4 B8 H8 124.1 . . ?
B7 B8 Rh2 66.28(14) . . ?
B7 B8 B4 106.9(2) . . ?
B7 B8 H8 121.9 . . ?
B7 B8 B9 108.6(2) . . ?
B9 B8 Rh2 118.9(2) . . ?
B9 B8 B4 59.15(19) . . ?
B9 B8 H8 119.8 . . ?
B12 B8 Rh2 119.93(19) . . ?
B12 B8 B4 106.3(2) . . ?
B12 B8 H8 120.0 . . ?
B12 B8 B7 60.39(18) . . ?
B12 B8 B9 59.97(18) . . ?
N1 C6 H6 126.1 . . ?
C5 C6 N1 107.7(2) . . ?
C5 C6 H6 126.1 . . ?
Rh2 B7 H7 111.2 . . ?
C2 B7 Rh2 115.30(18) . . ?
C2 B7 B8 103.7(2) . . ?
C2 B7 H7 123.2 . . ?
C2 B7 B12 58.06(16) . . ?
C2 B7 B11 58.59(16) . . ?
B8 B7 Rh2 67.08(15) . . ?
B8 B7 H7 123.5 . . ?
B8 B7 B12 59.65(18) . . ?
B8 B7 B11 105.2(2) . . ?
B12 B7 Rh2 120.0(2) . . ?
B12 B7 H7 119.8 . . ?
B12 B7 B11 106.0(2) . . ?
B11 B7 Rh2 63.00(14) . . ?
B11 B7 H7 124.6 . . ?
N1 C7 Rh1 131.2(2) . . ?
N2 C7 Rh1 123.89(19) . . ?
N2 C7 N1 104.9(2) . . ?
C1 B6 C2 104.2(2) . . ?
C1 B6 H6A 123.7 . . ?
C1 B6 B5 59.35(18) . . ?
C1 B6 B11 58.46(17) . . ?
C1 B6 B10 107.0(2) . . ?
C2 B6 H6A 123.9 . . ?
C2 B6 B5 105.6(2) . . ?
C2 B6 B11 59.54(16) . . ?
C2 B6 B10 59.35(17) . . ?
B5 B6 H6A 122.4 . . ?
B5 B6 B11 107.0(2) . . ?
B11 B6 H6A 121.8 . . ?
B10 B6 H6A 121.3 . . ?
B10 B6 B5 60.14(19) . . ?
B10 B6 B11 108.5(2) . . ?
N1 C8 C9 111.4(2) . . ?
N1 C8 C10 109.0(2) . . ?
N1 C8 C11 109.0(2) . . ?
C9 C8 C11 107.1(3) . . ?
C10 C8 C9 110.3(2) . . ?
C10 C8 C11 110.1(2) . . ?
C1 B5 B4 58.74(18) . . ?
C1 B5 B6 58.06(18) . . ?
C1 B5 H5A 123.8 . . ?
C1 B5 B9 106.6(2) . . ?
C1 B5 B10 105.8(2) . . ?
B4 B5 H5A 122.2 . . ?
B6 B5 B4 106.1(2) . . ?
B6 B5 H5A 122.7 . . ?
B6 B5 B9 107.9(2) . . ?
B6 B5 B10 59.92(19) . . ?
B9 B5 B4 60.5(2) . . ?
B9 B5 H5A 121.3 . . ?
B9 B5 B10 60.5(2) . . ?
B10 B5 B4 108.0(2) . . ?
B10 B5 H5A 121.8 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
B4 B9 B8 61.41(19) . . ?
B4 B9 H9 121.6 . . ?
B8 B9 H9 120.5 . . ?
B5 B9 B4 60.4(2) . . ?
B5 B9 B8 110.4(2) . . ?
B5 B9 H9 120.8 . . ?
B5 B9 B12 108.2(2) . . ?
B5 B9 B10 59.76(19) . . ?
B12 B9 B4 107.6(2) . . ?
B12 B9 B8 59.37(19) . . ?
B12 B9 H9 122.4 . . ?
B10 B9 B4 107.4(2) . . ?
B10 B9 B8 108.2(2) . . ?
B10 B9 H9 122.3 . . ?
B10 B9 B12 59.77(18) . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C2 B12 B8 105.3(2) . . ?
C2 B12 B7 59.78(16) . . ?
C2 B12 B9 104.5(2) . . ?
C2 B12 H12 124.7 . . ?
C2 B12 B10 59.00(16) . . ?
B8 B12 B7 59.96(18) . . ?
B8 B12 B9 60.66(19) . . ?
B8 B12 H12 121.8 . . ?
B8 B12 B10 109.4(2) . . ?
B7 B12 H12 120.4 . . ?
B9 B12 B7 108.8(2) . . ?
B9 B12 H12 122.4 . . ?
B10 B12 B7 110.0(2) . . ?
B10 B12 B9 60.00(19) . . ?
B10 B12 H12 120.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C1 B11 Rh2 71.67(14) . . ?
C1 B11 C2 101.2(2) . . ?
C1 B11 B7 109.7(2) . . ?
C1 B11 B6 56.99(17) . . ?
C1 B11 H11 123.2 . . ?
Rh2 B11 H11 105.6 . . ?
C2 B11 Rh2 119.22(17) . . ?
C2 B11 B7 58.25(16) . . ?
C2 B11 B6 57.24(16) . . ?
C2 B11 H11 124.8 . . ?
B7 B11 Rh2 67.77(14) . . ?
B7 B11 H11 121.7 . . ?
B6 B11 Rh2 123.54(19) . . ?
B6 B11 B7 107.2(2) . . ?
B6 B11 H11 120.7 . . ?
Rh1 C12 H12A 114.1 . . ?
C13 C12 Rh1 71.01(17) . . ?
C13 C12 H12A 114.1 . . ?
C13 C12 C19 124.9(3) . . ?
C19 C12 Rh1 110.5(2) . . ?
C19 C12 H12A 114.1 . . ?
C2 B10 B6 58.80(17) . . ?
C2 B10 B5 105.0(2) . . ?
C2 B10 B9 104.5(2) . . ?
C2 B10 B12 58.72(16) . . ?
C2 B10 H10 124.7 . . ?
B6 B10 B5 59.9(2) . . ?
B6 B10 B9 107.3(2) . . ?
B6 B10 B12 108.1(2) . . ?
B6 B10 H10 121.7 . . ?
B5 B10 B9 59.7(2) . . ?
B5 B10 B12 108.5(2) . . ?
B5 B10 H10 122.1 . . ?
B9 B10 H10 122.8 . . ?
B12 B10 B9 60.23(19) . . ?
B12 B10 H10 121.1 . . ?
Rh1 C13 H13 113.8 . . ?
C12 C13 Rh1 70.59(16) . . ?
C12 C13 H13 113.8 . . ?
C12 C13 C14 124.6(3) . . ?
C14 C13 Rh1 112.5(2) . . ?
C14 C13 H13 113.8 . . ?
C13 C14 H14A 108.5 . . ?
C13 C14 H14B 108.5 . . ?
H14A C14 H14B 107.5 . . ?
C15 C14 C13 115.1(3) . . ?
C15 C14 H14A 108.5 . . ?
C15 C14 H14B 108.5 . . ?
C14 C15 H15A 108.3 . . ?
C14 C15 H15B 108.3 . . ?
C14 C15 C16 116.1(3) . . ?
H15A C15 H15B 107.4 . . ?
C16 C15 H15A 108.3 . . ?
C16 C15 H15B 108.3 . . ?
Rh1 C16 H16 113.9 . . ?
C15 C16 Rh1 107.7(2) . . ?
C15 C16 H16 113.9 . . ?
C17 C16 Rh1 72.11(17) . . ?
C17 C16 C15 126.6(3) . . ?
C17 C16 H16 113.9 . . ?
Rh1 C17 H17 115.2 . . ?
C16 C17 Rh1 71.51(18) . . ?
C16 C17 H17 115.2 . . ?
C16 C17 C18 121.6(4) . . ?
C18 C17 Rh1 110.2(2) . . ?
C18 C17 H17 115.2 . . ?
C17 C18 H18A 108.4 . . ?
C17 C18 H18B 108.4 . . ?
H18A C18 H18B 107.5 . . ?
C19 C18 C17 115.4(3) . . ?
C19 C18 H18A 108.4 . . ?
C19 C18 H18B 108.4 . . ?
C12 C19 H19A 108.3 . . ?
C12 C19 H19B 108.3 . . ?
C18 C19 C12 115.9(3) . . ?
C18 C19 H19A 108.3 . . ?
C18 C19 H19B 108.3 . . ?
H19A C19 H19B 107.4 . . ?
N3 C20 C21 179.4(4) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Rh2 C22 H22 114.2 . . ?
C23 C22 Rh2 70.50(16) . . ?
C23 C22 H22 114.2 . . ?
C23 C22 C29 122.4(3) . . ?
C29 C22 Rh2 114.2(2) . . ?
C29 C22 H22 114.2 . . ?
Rh2 C23 H23 114.3 . . ?
C22 C23 Rh2 71.66(16) . . ?
C22 C23 H23 114.3 . . ?
C22 C23 C24 123.1(3) . . ?
C24 C23 Rh2 111.83(19) . . ?
C24 C23 H23 114.3 . . ?
C23 C24 H24A 109.0 . . ?
C23 C24 H24B 109.0 . . ?
C23 C24 C25 113.0(2) . . ?
H24A C24 H24B 107.8 . . ?
C25 C24 H24A 109.0 . . ?
C25 C24 H24B 109.0 . . ?
C24 C25 H25A 109.2 . . ?
C24 C25 H25B 109.2 . . ?
H25A C25 H25B 107.9 . . ?
C26 C25 C24 112.1(2) . . ?
C26 C25 H25A 109.2 . . ?
C26 C25 H25B 109.2 . . ?
Rh2 C26 H26 113.6 . . ?
C25 C26 Rh2 114.9(2) . . ?
C25 C26 H26 113.6 . . ?
C27 C26 Rh2 71.45(16) . . ?
C27 C26 C25 123.0(3) . . ?
C27 C26 H26 113.6 . . ?
Rh2 C27 H27 113.8 . . ?
C26 C27 Rh2 70.73(18) . . ?
C26 C27 H27 113.8 . . ?
C26 C27 C28 124.5(3) . . ?
C28 C27 Rh2 112.6(2) . . ?
C28 C27 H27 113.8 . . ?
C27 C28 H28A 109.1 . . ?
C27 C28 H28B 109.1 . . ?
C27 C28 C29 112.5(3) . . ?
H28A C28 H28B 107.8 . . ?
C29 C28 H28A 109.1 . . ?
C29 C28 H28B 109.1 . . ?
C22 C29 C28 112.2(2) . . ?
C22 C29 H29A 109.2 . . ?
C22 C29 H29B 109.2 . . ?
C28 C29 H29A 109.2 . . ?
C28 C29 H29B 109.2 . . ?
H29A C29 H29B 107.9 . . ?
O1 C30 C31 122.5(4) . . ?
O1 C30 C32 122.4(3) . . ?
C32 C30 C31 115.1(3) . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?

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
Rh1 N3 C20 C21 70(33) . . . . ?
Rh1 C12 C13 C14 104.5(3) . . . . ?
Rh1 C12 C19 C18 -28.8(4) . . . . ?
Rh1 C13 C14 C15 -2.0(4) . . . . ?
Rh1 C16 C17 C18 102.8(3) . . . . ?
Rh1 C17 C18 C19 -8.1(5) . . . . ?
C1 Rh2 B4 B8 -121.6(2) . . . . ?
C1 Rh2 B4 B5 -25.0(2) . . . . ?
C1 Rh2 B4 B9 -96.0(3) . . . . ?
C1 Rh2 B8 B4 37.65(15) . . . . ?
C1 Rh2 B8 B7 -86.22(15) . . . . ?
C1 Rh2 B8 B9 12.7(2) . . . . ?
C1 Rh2 B8 B12 -57.4(2) . . . . ?
C1 Rh2 B7 C2 -10.67(18) . . . . ?
C1 Rh2 B7 B8 84.23(14) . . . . ?
C1 Rh2 B7 B12 55.6(2) . . . . ?
C1 Rh2 B7 B11 -38.08(14) . . . . ?
C1 Rh2 B11 C2 92.8(2) . . . . ?
C1 Rh2 B11 B7 121.22(19) . . . . ?
C1 Rh2 B11 B6 24.75(19) . . . . ?
C1 Rh2 C22 C23 136.01(17) . . . . ?
C1 Rh2 C22 C29 -106.4(2) . . . . ?
C1 Rh2 C23 C22 -59.4(2) . . . . ?
C1 Rh2 C23 C24 -178.55(19) . . . . ?
C1 Rh2 C26 C25 155.7(2) . . . . ?
C1 Rh2 C26 C27 37.2(3) . . . . ?
C1 Rh2 C27 C26 -158.21(17) . . . . ?
C1 Rh2 C27 C28 81.5(2) . . . . ?
C1 B4 B8 Rh2 -57.48(17) . . . . ?
C1 B4 B8 B7 -4.9(3) . . . . ?
C1 B4 B8 B9 97.0(2) . . . . ?
C1 B4 B8 B12 58.4(3) . . . . ?
C1 B4 B5 B6 -35.0(2) . . . . ?
C1 B4 B5 B9 -136.8(3) . . . . ?
C1 B4 B5 B10 -97.9(3) . . . . ?
C1 B4 B9 B8 -102.8(2) . . . . ?
C1 B4 B9 B5 37.1(2) . . . . ?
C1 B4 B9 B12 -64.2(3) . . . . ?
C1 B4 B9 B10 -1.2(3) . . . . ?
C1 B6 B5 B4 35.2(2) . . . . ?
C1 B6 B5 B9 98.8(2) . . . . ?
C1 B6 B5 B10 137.0(2) . . . . ?
C1 B6 B11 Rh2 -28.3(2) . . . . ?
C1 B6 B11 C2 -133.9(2) . . . . ?
C1 B6 B11 B7 -102.6(2) . . . . ?
C1 B6 B10 C2 96.7(2) . . . . ?
C1 B6 B10 B5 -37.8(2) . . . . ?
C1 B6 B10 B9 0.0(3) . . . . ?
C1 B6 B10 B12 63.5(3) . . . . ?
C1 B5 B9 B4 -37.7(2) . . . . ?
C1 B5 B9 B8 -0.6(3) . . . . ?
C1 B5 B9 B12 62.6(3) . . . . ?
C1 B5 B9 B10 99.1(2) . . . . ?
C1 B5 B10 C2 -2.3(3) . . . . ?
C1 B5 B10 B6 36.9(2) . . . . ?
C1 B5 B10 B9 -100.5(2) . . . . ?
C1 B5 B10 B12 -63.8(3) . . . . ?
Rh2 C1 B4 B8 55.60(17) . . . . ?
Rh2 C1 B4 B5 155.4(2) . . . . ?
Rh2 C1 B4 B9 117.9(2) . . . . ?
Rh2 C1 B6 C2 -13.7(3) . . . . ?
Rh2 C1 B6 B5 -113.6(2) . . . . ?
Rh2 C1 B6 B11 26.14(19) . . . . ?
Rh2 C1 B6 B10 -75.4(2) . . . . ?
Rh2 C1 B5 B4 -26.9(2) . . . . ?
Rh2 C1 B5 B6 112.7(2) . . . . ?
Rh2 C1 B5 B9 11.6(3) . . . . ?
Rh2 C1 B5 B10 74.9(3) . . . . ?
Rh2 C1 B11 C2 -117.29(17) . . . . ?
Rh2 C1 B11 B7 -57.21(16) . . . . ?
Rh2 C1 B11 B6 -155.42(18) . . . . ?
Rh2 B4 B8 B7 52.62(16) . . . . ?
Rh2 B4 B8 B9 154.5(2) . . . . ?
Rh2 B4 B8 B12 115.93(19) . . . . ?
Rh2 B4 B5 C1 27.8(2) . . . . ?
Rh2 B4 B5 B6 -7.2(4) . . . . ?
Rh2 B4 B5 B9 -109.0(3) . . . . ?
Rh2 B4 B5 B10 -70.1(3) . . . . ?
Rh2 B4 B9 B8 -27.4(2) . . . . ?
Rh2 B4 B9 B5 112.5(2) . . . . ?
Rh2 B4 B9 B12 11.2(3) . . . . ?
Rh2 B4 B9 B10 74.2(3) . . . . ?
Rh2 B8 B7 C2 111.98(18) . . . . ?
Rh2 B8 B7 B12 151.24(18) . . . . ?
Rh2 B8 B7 B11 51.29(15) . . . . ?
Rh2 B8 B9 B4 26.4(2) . . . . ?
Rh2 B8 B9 B5 -10.2(3) . . . . ?
Rh2 B8 B9 B12 -109.8(2) . . . . ?
Rh2 B8 B9 B10 -73.9(3) . . . . ?
Rh2 B8 B12 C2 9.9(3) . . . . ?
Rh2 B8 B12 B7 -30.6(2) . . . . ?
Rh2 B8 B12 B9 108.2(2) . . . . ?
Rh2 B8 B12 B10 71.9(3) . . . . ?
Rh2 B7 B12 C2 -102.8(2) . . . . ?
Rh2 B7 B12 B8 30.8(2) . . . . ?
Rh2 B7 B12 B9 -6.6(3) . . . . ?
Rh2 B7 B12 B10 -70.6(3) . . . . ?
Rh2 B7 B11 C1 59.55(17) . . . . ?
Rh2 B7 B11 C2 150.81(18) . . . . ?
Rh2 B7 B11 B6 119.9(2) . . . . ?
Rh2 C22 C23 C24 104.6(3) . . . . ?
Rh2 C22 C29 C28 13.1(3) . . . . ?
Rh2 C23 C24 C25 31.1(3) . . . . ?
Rh2 C26 C27 C28 104.7(3) . . . . ?
Rh2 C27 C28 C29 33.2(3) . . . . ?
N2 C5 C6 N1 0.0(3) . . . . ?
C2 C3 C4 N2 -175.9(2) . . . . ?
C2 B7 B12 B8 133.6(2) . . . . ?
C2 B7 B12 B9 96.2(2) . . . . ?
C2 B7 B12 B10 32.2(2) . . . . ?
C2 B7 B11 C1 -91.3(2) . . . . ?
C2 B7 B11 Rh2 -150.81(18) . . . . ?
C2 B7 B11 B6 -30.9(2) . . . . ?
C2 B6 B5 C1 -97.5(2) . . . . ?
C2 B6 B5 B4 -62.2(3) . . . . ?
C2 B6 B5 B9 1.3(3) . . . . ?
C2 B6 B5 B10 39.59(19) . . . . ?
C2 B6 B11 C1 133.9(2) . . . . ?
C2 B6 B11 Rh2 105.7(2) . . . . ?
C2 B6 B11 B7 31.3(2) . . . . ?
C2 B6 B10 B5 -134.5(2) . . . . ?
C2 B6 B10 B9 -96.7(2) . . . . ?
C2 B6 B10 B12 -33.2(2) . . . . ?
C2 B12 B10 B6 33.2(2) . . . . ?
C2 B12 B10 B5 96.7(2) . . . . ?
C2 B12 B10 B9 133.2(2) . . . . ?
N3 Rh1 C7 N1 88.7(2) . . . . ?
N3 Rh1 C7 N2 -90.5(2) . . . . ?
N3 Rh1 C12 C13 -174.9(2) . . . . ?
N3 Rh1 C12 C19 -53.8(4) . . . . ?
N3 Rh1 C13 C12 171.6(3) . . . . ?
N3 Rh1 C13 C14 51.2(5) . . . . ?
N3 Rh1 C16 C15 -146.9(3) . . . . ?
N3 Rh1 C16 C17 89.3(2) . . . . ?
N3 Rh1 C17 C16 -91.1(2) . . . . ?
N3 Rh1 C17 C18 151.1(3) . . . . ?
C3 C2 B7 Rh2 -142.1(2) . . . . ?
C3 C2 B7 B8 147.0(2) . . . . ?
C3 C2 B7 B12 107.0(3) . . . . ?
C3 C2 B7 B11 -113.4(3) . . . . ?
C3 C2 B6 C1 153.4(2) . . . . ?
C3 C2 B6 B5 -145.0(2) . . . . ?
C3 C2 B6 B11 114.2(2) . . . . ?
C3 C2 B6 B10 -105.0(2) . . . . ?
C3 C2 B12 B8 -151.2(2) . . . . ?
C3 C2 B12 B7 -110.6(2) . . . . ?
C3 C2 B12 B9 145.8(2) . . . . ?
C3 C2 B12 B10 105.1(2) . . . . ?
C3 C2 B11 C1 -144.4(2) . . . . ?
C3 C2 B11 Rh2 140.5(2) . . . . ?
C3 C2 B11 B7 109.3(3) . . . . ?
C3 C2 B11 B6 -106.4(3) . . . . ?
C3 C2 B10 B6 108.6(2) . . . . ?
C3 C2 B10 B5 148.4(2) . . . . ?
C3 C2 B10 B9 -149.7(2) . . . . ?
C3 C2 B10 B12 -108.8(3) . . . . ?
C4 N2 C5 C6 172.5(2) . . . . ?
C4 N2 C7 Rh1 7.0(3) . . . . ?
C4 N2 C7 N1 -172.4(2) . . . . ?
B4 C1 Rh2 B8 -40.45(18) . . . . ?
B4 C1 Rh2 B7 -88.00(18) . . . . ?
B4 C1 Rh2 B11 -129.2(2) . . . . ?
B4 C1 Rh2 C22 149.98(18) . . . . ?
B4 C1 Rh2 C23 -176.98(18) . . . . ?
B4 C1 Rh2 C26 42.1(3) . . . . ?
B4 C1 Rh2 C27 65.66(19) . . . . ?
B4 C1 B6 C2 61.0(3) . . . . ?
B4 C1 B6 B5 -38.9(2) . . . . ?
B4 C1 B6 B11 100.8(2) . . . . ?
B4 C1 B6 B10 -0.8(3) . . . . ?
B4 C1 B5 B6 139.6(2) . . . . ?
B4 C1 B5 B9 38.5(2) . . . . ?
B4 C1 B5 B10 101.8(3) . . . . ?
B4 C1 B11 Rh2 48.15(18) . . . . ?
B4 C1 B11 C2 -69.1(2) . . . . ?
B4 C1 B11 B7 -9.1(3) . . . . ?
B4 C1 B11 B6 -107.3(2) . . . . ?
B4 Rh2 B8 B7 -123.9(2) . . . . ?
B4 Rh2 B8 B9 -25.0(2) . . . . ?
B4 Rh2 B8 B12 -95.0(2) . . . . ?
B4 Rh2 B7 C2 -56.01(19) . . . . ?
B4 Rh2 B7 B8 38.89(15) . . . . ?
B4 Rh2 B7 B12 10.2(2) . . . . ?
B4 Rh2 B7 B11 -83.43(15) . . . . ?
B4 Rh2 B11 C1 -33.70(16) . . . . ?
B4 Rh2 B11 C2 59.1(2) . . . . ?
B4 Rh2 B11 B7 87.52(16) . . . . ?
B4 Rh2 B11 B6 -9.0(2) . . . . ?
B4 Rh2 C22 C23 169.23(19) . . . . ?
B4 Rh2 C22 C29 -73.2(3) . . . . ?
B4 Rh2 C23 C22 -76.9(11) . . . . ?
B4 Rh2 C23 C24 164.0(10) . . . . ?
B4 Rh2 C26 C25 -174.8(2) . . . . ?
B4 Rh2 C26 C27 66.7(2) . . . . ?
B4 Rh2 C27 C26 -118.35(19) . . . . ?
B4 Rh2 C27 C28 121.4(2) . . . . ?
B4 B8 B7 Rh2 -51.80(17) . . . . ?
B4 B8 B7 C2 60.2(3) . . . . ?
B4 B8 B7 B12 99.4(2) . . . . ?
B4 B8 B7 B11 -0.5(3) . . . . ?
B4 B8 B9 B5 -36.7(2) . . . . ?
B4 B8 B9 B12 -136.2(2) . . . . ?
B4 B8 B9 B10 -100.3(3) . . . . ?
B4 B8 B12 C2 -60.1(3) . . . . ?
B4 B8 B12 B7 -100.5(2) . . . . ?
B4 B8 B12 B9 38.2(2) . . . . ?
B4 B8 B12 B10 1.9(3) . . . . ?
B4 B5 B9 B8 37.1(2) . . . . ?
B4 B5 B9 B12 100.3(2) . . . . ?
B4 B5 B9 B10 136.7(2) . . . . ?
B4 B5 B10 C2 59.4(3) . . . . ?
B4 B5 B10 B6 98.6(2) . . . . ?
B4 B5 B10 B9 -38.8(2) . . . . ?
B4 B5 B10 B12 -2.1(3) . . . . ?
B4 B9 B12 C2 60.1(3) . . . . ?
B4 B9 B12 B8 -39.6(2) . . . . ?
B4 B9 B12 B7 -2.5(3) . . . . ?
B4 B9 B12 B10 100.3(3) . . . . ?
B4 B9 B10 C2 -60.5(3) . . . . ?
B4 B9 B10 B6 0.8(3) . . . . ?
B4 B9 B10 B5 38.7(2) . . . . ?
B4 B9 B10 B12 -100.6(2) . . . . ?
C5 N2 C4 C3 -83.0(3) . . . . ?
C5 N2 C7 Rh1 179.45(18) . . . . ?
C5 N2 C7 N1 0.1(3) . . . . ?
B8 Rh2 B4 C1 121.6(2) . . . . ?
B8 Rh2 B4 B5 96.7(3) . . . . ?
B8 Rh2 B4 B9 25.6(2) . . . . ?
B8 Rh2 B7 C2 -94.9(2) . . . . ?
B8 Rh2 B7 B12 -28.65(18) . . . . ?
B8 Rh2 B7 B11 -122.31(19) . . . . ?
B8 Rh2 B11 C1 -82.76(16) . . . . ?
B8 Rh2 B11 C2 10.1(2) . . . . ?
B8 Rh2 B11 B7 38.46(15) . . . . ?
B8 Rh2 B11 B6 -58.0(2) . . . . ?
B8 Rh2 C22 C23 30.6(6) . . . . ?
B8 Rh2 C22 C29 148.2(5) . . . . ?
B8 Rh2 C23 C22 -172.66(17) . . . . ?
B8 Rh2 C23 C24 68.2(3) . . . . ?
B8 Rh2 C26 C25 -126.8(2) . . . . ?
B8 Rh2 C26 C27 114.67(19) . . . . ?
B8 Rh2 C27 C26 -73.19(19) . . . . ?
B8 Rh2 C27 C28 166.5(2) . . . . ?
B8 B4 B5 C1 101.2(2) . . . . ?
B8 B4 B5 B6 66.2(3) . . . . ?
B8 B4 B5 B9 -35.6(2) . . . . ?
B8 B4 B5 B10 3.3(3) . . . . ?
B8 B4 B9 B5 140.0(2) . . . . ?
B8 B4 B9 B12 38.6(2) . . . . ?
B8 B4 B9 B10 101.6(2) . . . . ?
B8 B7 B12 C2 -133.6(2) . . . . ?
B8 B7 B12 B9 -37.4(2) . . . . ?
B8 B7 B12 B10 -101.4(3) . . . . ?
B8 B7 B11 C1 5.8(3) . . . . ?
B8 B7 B11 Rh2 -53.76(16) . . . . ?
B8 B7 B11 C2 97.0(2) . . . . ?
B8 B7 B11 B6 66.1(3) . . . . ?
B8 B9 B12 C2 99.6(2) . . . . ?
B8 B9 B12 B7 37.1(2) . . . . ?
B8 B9 B12 B10 139.8(2) . . . . ?
B8 B9 B10 C2 4.3(3) . . . . ?
B8 B9 B10 B6 65.6(3) . . . . ?
B8 B9 B10 B5 103.5(3) . . . . ?
B8 B9 B10 B12 -35.7(2) . . . . ?
B8 B12 B10 C2 -96.6(2) . . . . ?
B8 B12 B10 B6 -63.4(3) . . . . ?
B8 B12 B10 B5 0.1(3) . . . . ?
B8 B12 B10 B9 36.6(2) . . . . ?
C6 N1 C7 Rh1 -179.4(2) . . . . ?
C6 N1 C7 N2 -0.1(3) . . . . ?
C6 N1 C8 C9 164.5(3) . . . . ?
C6 N1 C8 C10 -73.6(3) . . . . ?
C6 N1 C8 C11 46.5(3) . . . . ?
B7 Rh2 B4 C1 83.97(17) . . . . ?
B7 Rh2 B4 B8 -37.66(15) . . . . ?
B7 Rh2 B4 B5 59.0(3) . . . . ?
B7 Rh2 B4 B9 -12.1(2) . . . . ?
B7 Rh2 B8 B4 123.9(2) . . . . ?
B7 Rh2 B8 B9 98.9(3) . . . . ?
B7 Rh2 B8 B12 28.9(2) . . . . ?
B7 Rh2 B11 C1 -121.22(19) . . . . ?
B7 Rh2 B11 C2 -28.37(18) . . . . ?
B7 Rh2 B11 B6 -96.5(2) . . . . ?
B7 Rh2 C22 C23 49.2(2) . . . . ?
B7 Rh2 C22 C29 166.8(2) . . . . ?
B7 Rh2 C23 C22 -140.54(18) . . . . ?
B7 Rh2 C23 C24 100.3(2) . . . . ?
B7 Rh2 C26 C25 -85.3(3) . . . . ?
B7 Rh2 C26 C27 156.21(17) . . . . ?
B7 Rh2 C27 C26 -48.4(3) . . . . ?
B7 Rh2 C27 C28 -168.7(2) . . . . ?
B7 C2 C3 C4 67.1(3) . . . . ?
B7 C2 B6 C1 3.8(3) . . . . ?
B7 C2 B6 B5 65.4(3) . . . . ?
B7 C2 B6 B11 -35.5(2) . . . . ?
B7 C2 B6 B10 105.3(2) . . . . ?
B7 C2 B12 B8 -40.6(2) . . . . ?
B7 C2 B12 B9 -103.5(2) . . . . ?
B7 C2 B12 B10 -144.3(2) . . . . ?
B7 C2 B11 C1 106.3(2) . . . . ?
B7 C2 B11 Rh2 31.15(19) . . . . ?
B7 C2 B11 B6 144.3(2) . . . . ?
B7 C2 B10 B6 -107.9(2) . . . . ?
B7 C2 B10 B5 -68.1(3) . . . . ?
B7 C2 B10 B9 -6.2(3) . . . . ?
B7 C2 B10 B12 34.6(2) . . . . ?
B7 B8 B9 B4 99.0(2) . . . . ?
B7 B8 B9 B5 62.4(3) . . . . ?
B7 B8 B9 B12 -37.2(2) . . . . ?
B7 B8 B9 B10 -1.3(3) . . . . ?
B7 B8 B12 C2 40.46(19) . . . . ?
B7 B8 B12 B9 138.7(2) . . . . ?
B7 B8 B12 B10 102.4(2) . . . . ?
B7 B12 B10 C2 -32.5(2) . . . . ?
B7 B12 B10 B6 0.7(3) . . . . ?
B7 B12 B10 B5 64.2(3) . . . . ?
B7 B12 B10 B9 100.7(3) . . . . ?
C7 Rh1 N3 C20 -122(4) . . . . ?
C7 Rh1 C12 C13 94.23(18) . . . . ?
C7 Rh1 C12 C19 -144.6(2) . . . . ?
C7 Rh1 C13 C12 -87.23(18) . . . . ?
C7 Rh1 C13 C14 152.4(2) . . . . ?
C7 Rh1 C16 C15 -55.2(5) . . . . ?
C7 Rh1 C16 C17 -178.9(3) . . . . ?
C7 Rh1 C17 C16 179.0(3) . . . . ?
C7 Rh1 C17 C18 61.3(5) . . . . ?
C7 N1 C6 C5 0.1(3) . . . . ?
C7 N1 C8 C9 -17.5(4) . . . . ?
C7 N1 C8 C10 104.4(3) . . . . ?
C7 N1 C8 C11 -135.4(3) . . . . ?
C7 N2 C4 C3 88.5(3) . . . . ?
C7 N2 C5 C6 0.0(3) . . . . ?
B6 C1 Rh2 B4 102.7(3) . . . . ?
B6 C1 Rh2 B8 62.3(2) . . . . ?
B6 C1 Rh2 B7 14.7(2) . . . . ?
B6 C1 Rh2 B11 -26.5(2) . . . . ?
B6 C1 Rh2 C22 -107.3(2) . . . . ?
B6 C1 Rh2 C23 -74.3(3) . . . . ?
B6 C1 Rh2 C26 144.8(2) . . . . ?
B6 C1 Rh2 C27 168.4(2) . . . . ?
B6 C1 B4 Rh2 -116.7(2) . . . . ?
B6 C1 B4 B8 -61.0(3) . . . . ?
B6 C1 B4 B5 38.8(2) . . . . ?
B6 C1 B4 B9 1.3(3) . . . . ?
B6 C1 B5 B4 -139.6(2) . . . . ?
B6 C1 B5 B9 -101.1(3) . . . . ?
B6 C1 B5 B10 -37.8(2) . . . . ?
B6 C1 B11 Rh2 155.42(18) . . . . ?
B6 C1 B11 C2 38.13(19) . . . . ?
B6 C1 B11 B7 98.2(2) . . . . ?
B6 C2 C3 C4 -81.7(3) . . . . ?
B6 C2 B7 Rh2 6.8(3) . . . . ?
B6 C2 B7 B8 -64.1(3) . . . . ?
B6 C2 B7 B12 -104.1(3) . . . . ?
B6 C2 B7 B11 35.5(2) . . . . ?
B6 C2 B12 B8 67.9(3) . . . . ?
B6 C2 B12 B7 108.4(2) . . . . ?
B6 C2 B12 B9 4.9(3) . . . . ?
B6 C2 B12 B10 -35.8(2) . . . . ?
B6 C2 B11 C1 -38.00(19) . . . . ?
B6 C2 B11 Rh2 -113.1(2) . . . . ?
B6 C2 B11 B7 -144.3(2) . . . . ?
B6 C2 B10 B5 39.8(2) . . . . ?
B6 C2 B10 B9 101.7(2) . . . . ?
B6 C2 B10 B12 142.5(2) . . . . ?
B6 B5 B9 B4 -98.7(2) . . . . ?
B6 B5 B9 B8 -61.7(3) . . . . ?
B6 B5 B9 B12 1.6(3) . . . . ?
B6 B5 B9 B10 38.0(2) . . . . ?
B6 B5 B10 C2 -39.19(19) . . . . ?
B6 B5 B10 B9 -137.4(2) . . . . ?
B6 B5 B10 B12 -100.7(2) . . . . ?
C8 N1 C6 C5 178.4(2) . . . . ?
C8 N1 C7 Rh1 2.4(4) . . . . ?
C8 N1 C7 N2 -178.3(2) . . . . ?
B5 C1 Rh2 B4 26.3(2) . . . . ?
B5 C1 Rh2 B8 -14.2(2) . . . . ?
B5 C1 Rh2 B7 -61.7(2) . . . . ?
B5 C1 Rh2 B11 -102.9(3) . . . . ?
B5 C1 Rh2 C22 176.3(2) . . . . ?
B5 C1 Rh2 C23 -150.7(2) . . . . ?
B5 C1 Rh2 C26 68.4(3) . . . . ?
B5 C1 Rh2 C27 92.0(2) . . . . ?
B5 C1 B4 Rh2 -155.4(2) . . . . ?
B5 C1 B4 B8 -99.8(2) . . . . ?
B5 C1 B4 B9 -37.5(2) . . . . ?
B5 C1 B6 C2 99.9(2) . . . . ?
B5 C1 B6 B11 139.8(2) . . . . ?
B5 C1 B6 B10 38.2(2) . . . . ?
B5 C1 B11 Rh2 116.4(2) . . . . ?
B5 C1 B11 C2 -0.9(3) . . . . ?
B5 C1 B11 B7 59.2(3) . . . . ?
B5 C1 B11 B6 -39.1(2) . . . . ?
B5 B4 B8 Rh2 -119.1(2) . . . . ?
B5 B4 B8 B7 -66.5(3) . . . . ?
B5 B4 B8 B9 35.4(2) . . . . ?
B5 B4 B8 B12 -3.2(3) . . . . ?
B5 B4 B9 B8 -140.0(2) . . . . ?
B5 B4 B9 B12 -101.3(2) . . . . ?
B5 B4 B9 B10 -38.3(2) . . . . ?
B5 B6 B11 C1 35.5(2) . . . . ?
B5 B6 B11 Rh2 7.3(3) . . . . ?
B5 B6 B11 C2 -98.4(2) . . . . ?
B5 B6 B11 B7 -67.1(3) . . . . ?
B5 B6 B10 C2 134.5(2) . . . . ?
B5 B6 B10 B9 37.8(2) . . . . ?
B5 B6 B10 B12 101.3(2) . . . . ?
B5 B9 B12 C2 -3.8(3) . . . . ?
B5 B9 B12 B8 -103.4(2) . . . . ?
B5 B9 B12 B7 -66.3(3) . . . . ?
B5 B9 B12 B10 36.4(2) . . . . ?
B5 B9 B10 C2 -99.2(2) . . . . ?
B5 B9 B10 B6 -37.9(2) . . . . ?
B5 B9 B10 B12 -139.2(2) . . . . ?
B9 B4 B8 Rh2 -154.5(2) . . . . ?
B9 B4 B8 B7 -101.9(2) . . . . ?
B9 B4 B8 B12 -38.6(2) . . . . ?
B9 B4 B5 C1 136.8(3) . . . . ?
B9 B4 B5 B6 101.8(3) . . . . ?
B9 B4 B5 B10 38.9(2) . . . . ?
B9 B8 B7 Rh2 -114.2(2) . . . . ?
B9 B8 B7 C2 -2.2(3) . . . . ?
B9 B8 B7 B12 37.0(2) . . . . ?
B9 B8 B7 B11 -62.9(3) . . . . ?
B9 B8 B12 C2 -98.3(2) . . . . ?
B9 B8 B12 B7 -138.7(2) . . . . ?
B9 B8 B12 B10 -36.3(2) . . . . ?
B9 B5 B10 C2 98.2(2) . . . . ?
B9 B5 B10 B6 137.4(2) . . . . ?
B9 B5 B10 B12 36.7(2) . . . . ?
B9 B12 B10 C2 -133.2(2) . . . . ?
B9 B12 B10 B6 -100.0(3) . . . . ?
B9 B12 B10 B5 -36.5(2) . . . . ?
B12 C2 C3 C4 138.7(2) . . . . ?
B12 C2 B7 Rh2 110.9(2) . . . . ?
B12 C2 B7 B8 40.1(2) . . . . ?
B12 C2 B7 B11 139.6(2) . . . . ?
B12 C2 B6 C1 -65.6(3) . . . . ?
B12 C2 B6 B5 -4.0(3) . . . . ?
B12 C2 B6 B11 -104.9(2) . . . . ?
B12 C2 B6 B10 36.0(2) . . . . ?
B12 C2 B11 C1 67.8(2) . . . . ?
B12 C2 B11 Rh2 -7.3(3) . . . . ?
B12 C2 B11 B7 -38.5(2) . . . . ?
B12 C2 B11 B6 105.8(2) . . . . ?
B12 C2 B10 B6 -142.5(2) . . . . ?
B12 C2 B10 B5 -102.8(2) . . . . ?
B12 C2 B10 B9 -40.8(2) . . . . ?
B12 B8 B7 Rh2 -151.24(18) . . . . ?
B12 B8 B7 C2 -39.3(2) . . . . ?
B12 B8 B7 B11 -99.9(2) . . . . ?
B12 B8 B9 B4 136.2(2) . . . . ?
B12 B8 B9 B5 99.6(3) . . . . ?
B12 B8 B9 B10 35.9(2) . . . . ?
B12 B7 B11 C1 -56.4(3) . . . . ?
B12 B7 B11 Rh2 -115.9(2) . . . . ?
B12 B7 B11 C2 34.9(2) . . . . ?
B12 B7 B11 B6 3.9(3) . . . . ?
B12 B9 B10 C2 40.1(2) . . . . ?
B12 B9 B10 B6 101.4(2) . . . . ?
B12 B9 B10 B5 139.2(2) . . . . ?
B11 C1 Rh2 B4 129.2(2) . . . . ?
B11 C1 Rh2 B8 88.75(17) . . . . ?
B11 C1 Rh2 B7 41.20(15) . . . . ?
B11 C1 Rh2 C22 -80.82(17) . . . . ?
B11 C1 Rh2 C23 -47.8(2) . . . . ?
B11 C1 Rh2 C26 171.32(19) . . . . ?
B11 C1 Rh2 C27 -165.15(16) . . . . ?
B11 C1 B4 Rh2 -46.99(18) . . . . ?
B11 C1 B4 B8 8.6(3) . . . . ?
B11 C1 B4 B5 108.4(2) . . . . ?
B11 C1 B4 B9 70.9(3) . . . . ?
B11 C1 B6 C2 -39.80(19) . . . . ?
B11 C1 B6 B5 -139.8(2) . . . . ?
B11 C1 B6 B10 -101.6(2) . . . . ?
B11 C1 B5 B4 -99.7(3) . . . . ?
B11 C1 B5 B6 39.9(2) . . . . ?
B11 C1 B5 B9 -61.2(3) . . . . ?
B11 C1 B5 B10 2.1(3) . . . . ?
B11 Rh2 B4 C1 34.01(16) . . . . ?
B11 Rh2 B4 B8 -87.63(16) . . . . ?
B11 Rh2 B4 B5 9.0(3) . . . . ?
B11 Rh2 B4 B9 -62.0(2) . . . . ?
B11 Rh2 B8 B4 83.50(16) . . . . ?
B11 Rh2 B8 B7 -40.37(15) . . . . ?
B11 Rh2 B8 B9 58.5(2) . . . . ?
B11 Rh2 B8 B12 -11.5(2) . . . . ?
B11 Rh2 B7 C2 27.42(17) . . . . ?
B11 Rh2 B7 B8 122.31(19) . . . . ?
B11 Rh2 B7 B12 93.7(2) . . . . ?
B11 Rh2 C22 C23 91.45(18) . . . . ?
B11 Rh2 C22 C29 -151.0(2) . . . . ?
B11 Rh2 C23 C22 -91.16(18) . . . . ?
B11 Rh2 C23 C24 149.7(2) . . . . ?
B11 Rh2 C26 C25 -55.9(6) . . . . ?
B11 Rh2 C26 C27 -174.4(5) . . . . ?
B11 Rh2 C27 C26 177.4(2) . . . . ?
B11 Rh2 C27 C28 57.1(4) . . . . ?
B11 C2 C3 C4 -7.9(3) . . . . ?
B11 C2 B7 Rh2 -28.73(17) . . . . ?
B11 C2 B7 B8 -99.6(2) . . . . ?
B11 C2 B7 B12 -139.6(2) . . . . ?
B11 C2 B6 C1 39.27(19) . . . . ?
B11 C2 B6 B5 100.9(2) . . . . ?
B11 C2 B6 B10 140.9(2) . . . . ?
B11 C2 B12 B8 -1.7(3) . . . . ?
B11 C2 B12 B7 38.9(2) . . . . ?
B11 C2 B12 B9 -64.7(3) . . . . ?
B11 C2 B12 B10 -105.4(2) . . . . ?
B11 C2 B10 B6 -37.9(2) . . . . ?
B11 C2 B10 B5 1.9(3) . . . . ?
B11 C2 B10 B9 63.8(3) . . . . ?
B11 C2 B10 B12 104.6(2) . . . . ?
B11 B7 B12 C2 -35.1(2) . . . . ?
B11 B7 B12 B8 98.5(2) . . . . ?
B11 B7 B12 B9 61.1(3) . . . . ?
B11 B7 B12 B10 -2.9(3) . . . . ?
B11 B6 B5 C1 -35.2(2) . . . . ?
B11 B6 B5 B4 0.1(3) . . . . ?
B11 B6 B5 B9 63.6(3) . . . . ?
B11 B6 B5 B10 101.9(2) . . . . ?
B11 B6 B10 C2 35.0(2) . . . . ?
B11 B6 B10 B5 -99.5(2) . . . . ?
B11 B6 B10 B9 -61.7(3) . . . . ?
B11 B6 B10 B12 1.9(3) . . . . ?
C12 Rh1 N3 C20 147(4) . . . . ?
C12 Rh1 C7 N1 -115.5(2) . . . . ?
C12 Rh1 C7 N2 65.3(2) . . . . ?
C12 Rh1 C13 C14 -120.4(3) . . . . ?
C12 Rh1 C16 C15 56.4(3) . . . . ?
C12 Rh1 C16 C17 -67.4(2) . . . . ?
C12 Rh1 C17 C16 111.8(2) . . . . ?
C12 Rh1 C17 C18 -5.9(3) . . . . ?
C12 C13 C14 C15 -83.3(5) . . . . ?
B10 C2 C3 C4 -151.2(2) . . . . ?
B10 C2 B7 Rh2 76.2(2) . . . . ?
B10 C2 B7 B8 5.4(3) . . . . ?
B10 C2 B7 B12 -34.7(2) . . . . ?
B10 C2 B7 B11 105.0(2) . . . . ?
B10 C2 B6 C1 -101.6(2) . . . . ?
B10 C2 B6 B5 -40.0(2) . . . . ?
B10 C2 B6 B11 -140.9(2) . . . . ?
B10 C2 B12 B8 103.7(2) . . . . ?
B10 C2 B12 B7 144.3(2) . . . . ?
B10 C2 B12 B9 40.7(2) . . . . ?
B10 C2 B11 C1 -0.6(3) . . . . ?
B10 C2 B11 Rh2 -75.8(2) . . . . ?
B10 C2 B11 B7 -106.9(2) . . . . ?
B10 C2 B11 B6 37.4(2) . . . . ?
B10 B6 B5 C1 -137.0(2) . . . . ?
B10 B6 B5 B4 -101.8(3) . . . . ?
B10 B6 B5 B9 -38.3(2) . . . . ?
B10 B6 B11 C1 99.0(2) . . . . ?
B10 B6 B11 Rh2 70.7(3) . . . . ?
B10 B6 B11 C2 -34.9(2) . . . . ?
B10 B6 B11 B7 -3.6(3) . . . . ?
B10 B5 B9 B4 -136.7(2) . . . . ?
B10 B5 B9 B8 -99.7(3) . . . . ?
B10 B5 B9 B12 -36.4(2) . . . . ?
B10 B9 B12 C2 -40.2(2) . . . . ?
B10 B9 B12 B8 -139.8(2) . . . . ?
B10 B9 B12 B7 -102.8(2) . . . . ?
C13 Rh1 N3 C20 -20(4) . . . . ?
C13 Rh1 C7 N1 -77.1(2) . . . . ?
C13 Rh1 C7 N2 103.6(2) . . . . ?
C13 Rh1 C12 C19 121.1(3) . . . . ?
C13 Rh1 C16 C15 20.4(3) . . . . ?
C13 Rh1 C16 C17 -103.3(2) . . . . ?
C13 Rh1 C17 C16 74.6(2) . . . . ?
C13 Rh1 C17 C18 -43.2(3) . . . . ?
C13 C12 C19 C18 51.9(5) . . . . ?
C13 C14 C15 C16 20.8(6) . . . . ?
C14 C15 C16 Rh1 -28.1(5) . . . . ?
C14 C15 C16 C17 52.4(6) . . . . ?
C15 C16 C17 Rh1 -99.1(3) . . . . ?
C15 C16 C17 C18 3.7(5) . . . . ?
C16 Rh1 N3 C20 41(4) . . . . ?
C16 Rh1 C7 N1 -3.2(5) . . . . ?
C16 Rh1 C7 N2 177.5(3) . . . . ?
C16 Rh1 C12 C13 -69.53(19) . . . . ?
C16 Rh1 C12 C19 51.6(2) . . . . ?
C16 Rh1 C13 C12 109.74(19) . . . . ?
C16 Rh1 C13 C14 -10.7(2) . . . . ?
C16 Rh1 C17 C18 -117.7(4) . . . . ?
C16 C17 C18 C19 -88.3(5) . . . . ?
C17 Rh1 N3 C20 77(4) . . . . ?
C17 Rh1 C7 N1 178.7(3) . . . . ?
C17 Rh1 C7 N2 -0.5(5) . . . . ?
C17 Rh1 C12 C13 -103.13(19) . . . . ?
C17 Rh1 C12 C19 18.0(2) . . . . ?
C17 Rh1 C13 C12 74.48(19) . . . . ?
C17 Rh1 C13 C14 -45.9(2) . . . . ?
C17 Rh1 C16 C15 123.7(4) . . . . ?
C17 C18 C19 C12 24.6(6) . . . . ?
C19 C12 C13 Rh1 -102.2(3) . . . . ?
C19 C12 C13 C14 2.3(5) . . . . ?
C22 Rh2 B4 C1 -49.0(2) . . . . ?
C22 Rh2 B4 B8 -170.62(17) . . . . ?
C22 Rh2 B4 B5 -74.0(3) . . . . ?
C22 Rh2 B4 B9 -145.0(2) . . . . ?
C22 Rh2 B8 B4 145.4(5) . . . . ?
C22 Rh2 B8 B7 21.5(6) . . . . ?
C22 Rh2 B8 B9 120.4(6) . . . . ?
C22 Rh2 B8 B12 50.4(7) . . . . ?
C22 Rh2 B7 C2 89.7(2) . . . . ?
C22 Rh2 B7 B8 -175.37(14) . . . . ?
C22 Rh2 B7 B12 155.98(19) . . . . ?
C22 Rh2 B7 B11 62.32(17) . . . . ?
C22 Rh2 B11 C1 106.60(16) . . . . ?
C22 Rh2 B11 C2 -160.6(2) . . . . ?
C22 Rh2 B11 B7 -132.18(15) . . . . ?
C22 Rh2 B11 B6 131.3(2) . . . . ?
C22 Rh2 C23 C24 -119.1(3) . . . . ?
C22 Rh2 C26 C25 43.0(2) . . . . ?
C22 Rh2 C26 C27 -75.48(19) . . . . ?
C22 Rh2 C27 C26 100.34(19) . . . . ?
C22 Rh2 C27 C28 -19.9(2) . . . . ?
C22 C23 C24 C25 -50.7(4) . . . . ?
C23 Rh2 B4 C1 19.5(11) . . . . ?
C23 Rh2 B4 B8 -102.1(11) . . . . ?
C23 Rh2 B4 B5 -5.5(12) . . . . ?
C23 Rh2 B4 B9 -76.5(11) . . . . ?
C23 Rh2 B8 B4 170.55(16) . . . . ?
C23 Rh2 B8 B7 46.7(2) . . . . ?
C23 Rh2 B8 B9 145.6(2) . . . . ?
C23 Rh2 B8 B12 75.6(3) . . . . ?
C23 Rh2 B7 C2 117.57(19) . . . . ?
C23 Rh2 B7 B8 -147.53(15) . . . . ?
C23 Rh2 B7 B12 -176.2(2) . . . . ?
C23 Rh2 B7 B11 90.16(15) . . . . ?
C23 Rh2 B11 C1 144.53(16) . . . . ?
C23 Rh2 B11 C2 -122.6(2) . . . . ?
C23 Rh2 B11 B7 -94.25(15) . . . . ?
C23 Rh2 B11 B6 169.3(2) . . . . ?
C23 Rh2 C22 C29 117.6(3) . . . . ?
C23 Rh2 C26 C25 5.7(2) . . . . ?
C23 Rh2 C26 C27 -112.78(19) . . . . ?
C23 Rh2 C27 C26 66.05(19) . . . . ?
C23 Rh2 C27 C28 -54.2(2) . . . . ?
C23 C22 C29 C28 94.5(3) . . . . ?
C23 C24 C25 C26 -26.3(4) . . . . ?
C24 C25 C26 Rh2 9.4(3) . . . . ?
C24 C25 C26 C27 92.7(4) . . . . ?
C25 C26 C27 Rh2 -108.2(3) . . . . ?
C25 C26 C27 C28 -3.6(5) . . . . ?
C26 Rh2 B4 C1 -156.48(16) . . . . ?
C26 Rh2 B4 B8 81.89(17) . . . . ?
C26 Rh2 B4 B5 178.5(2) . . . . ?
C26 Rh2 B4 B9 107.5(2) . . . . ?
C26 Rh2 B8 B4 -107.77(16) . . . . ?
C26 Rh2 B8 B7 128.37(15) . . . . ?
C26 Rh2 B8 B9 -132.7(2) . . . . ?
C26 Rh2 B8 B12 157.2(2) . . . . ?
C26 Rh2 B7 C2 -160.19(17) . . . . ?
C26 Rh2 B7 B8 -65.29(17) . . . . ?
C26 Rh2 B7 B12 -93.9(2) . . . . ?
C26 Rh2 B7 B11 172.39(14) . . . . ?
C26 Rh2 B11 C1 -155.1(5) . . . . ?
C26 Rh2 B11 C2 -62.2(6) . . . . ?
C26 Rh2 B11 B7 -33.9(6) . . . . ?
C26 Rh2 B11 B6 -130.3(5) . . . . ?
C26 Rh2 C22 C23 -76.88(19) . . . . ?
C26 Rh2 C22 C29 40.7(2) . . . . ?
C26 Rh2 C23 C22 99.21(19) . . . . ?
C26 Rh2 C23 C24 -19.9(2) . . . . ?
C26 Rh2 C27 C28 -120.3(3) . . . . ?
C26 C27 C28 C29 -48.3(4) . . . . ?
C27 Rh2 B4 C1 -122.19(17) . . . . ?
C27 Rh2 B4 B8 116.17(16) . . . . ?
C27 Rh2 B4 B5 -147.2(3) . . . . ?
C27 Rh2 B4 B9 141.8(2) . . . . ?
C27 Rh2 B8 B4 -71.66(17) . . . . ?
C27 Rh2 B8 B7 164.48(14) . . . . ?
C27 Rh2 B8 B9 -96.6(2) . . . . ?
C27 Rh2 B8 B12 -166.7(2) . . . . ?
C27 Rh2 B7 C2 -128.0(2) . . . . ?
C27 Rh2 B7 B8 -33.1(3) . . . . ?
C27 Rh2 B7 B12 -61.7(3) . . . . ?
C27 Rh2 B7 B11 -155.4(2) . . . . ?
C27 Rh2 B11 C1 32.7(3) . . . . ?
C27 Rh2 B11 C2 125.6(3) . . . . ?
C27 Rh2 B11 B7 154.0(2) . . . . ?
C27 Rh2 B11 B6 57.5(4) . . . . ?
C27 Rh2 C22 C23 -114.01(19) . . . . ?
C27 Rh2 C22 C29 3.6(2) . . . . ?
C27 Rh2 C23 C22 64.57(19) . . . . ?
C27 Rh2 C23 C24 -54.6(2) . . . . ?
C27 Rh2 C26 C25 118.5(3) . . . . ?
C27 C28 C29 C22 -29.9(4) . . . . ?
C29 C22 C23 Rh2 -106.9(3) . . . . ?
C29 C22 C23 C24 -2.3(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_Complex_4_dash
_database_code_depnum_ccdc_archive 'CCDC 1444076'
_audit_update_record             
;
2015-12-23 deposited with the CCDC.
2016-04-12 downloaded from the CCDC.
;
_audit_creation_date             2015-09-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C27 H49 B9 N2 Rh2, 0.5(C4 H10 O)'
_chemical_formula_sum            'C29 H54 B9 N2 O0.50 Rh2'
_chemical_formula_weight         741.85
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C58 H108 B18 N4 O1 Rh4 '
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'
B B 0.0013 0.0007 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   10.7898(6)
_cell_length_b                   11.4212(12)
_cell_length_c                   14.8764(14)
_cell_angle_alpha                71.730(9)
_cell_angle_beta                 83.274(6)
_cell_angle_gamma                69.415(8)
_cell_volume                     1629.6(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    5549
_cell_measurement_temperature    120.01(10)
_cell_measurement_theta_max      30.3060
_cell_measurement_theta_min      3.4990
_exptl_absorpt_coefficient_mu    1.039
_exptl_absorpt_correction_T_max  0.884
_exptl_absorpt_correction_T_min  0.731
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
'CrysAlisPro, Agilent Technologies, Version 1.171.36.28e (release 10-06-2013 CrysAlis171 .NET) (compiled Jun 10 2013,11:58:50) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)'
_exptl_crystal_density_diffrn    1.512
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             762
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.16
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0422
_diffrn_reflns_av_unetI/netI     0.0627
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            19367
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         3.20
_diffrn_ambient_temperature      120.01(10)
_diffrn_detector_area_resol_mean 5.3095
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega    8.00   33.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -13.8884   37.0000   60.0000 25

#__ type_ start__ end____ width___ exp.time_
  2 omega   31.00   56.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       13.1072   57.0000  150.0000 25

#__ type_ start__ end____ width___ exp.time_
  3 omega  -10.00   17.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       13.1072   57.0000  150.0000 27

#__ type_ start__ end____ width___ exp.time_
  4 omega  -12.00   82.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       13.1072   57.0000   30.0000 94

#__ type_ start__ end____ width___ exp.time_
  5 omega  -29.00    0.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -13.8884  -64.0000  -95.6670 29

#__ type_ start__ end____ width___ exp.time_
  6 omega  -79.00  -48.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -13.8884  -64.0000  -95.6670 31

#__ type_ start__ end____ width___ exp.time_
  7 omega  -34.00   54.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -13.8884   57.0000  -90.0000 88

#__ type_ start__ end____ width___ exp.time_
  8 omega  -64.00    4.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -13.8884  -37.0000  120.0000 68

#__ type_ start__ end____ width___ exp.time_
  9 omega  -70.00   10.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -13.8884  -61.0000   93.8040 80
;
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0285835000
_diffrn_orient_matrix_UB_12      0.0686064000
_diffrn_orient_matrix_UB_13      -0.0200385000
_diffrn_orient_matrix_UB_21      0.0078721000
_diffrn_orient_matrix_UB_22      -0.0082346000
_diffrn_orient_matrix_UB_23      -0.0458873000
_diffrn_orient_matrix_UB_31      -0.0636584000
_diffrn_orient_matrix_UB_32      -0.0062683000
_diffrn_orient_matrix_UB_33      0.0037527000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                6104
_reflns_number_total             8069
_reflns_odcompleteness_completeness 99.81
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     28.22
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
'CrysAlisPro, Agilent Technologies, Version 1.171.36.28e (release 10-06-2013 CrysAlis171 .NET) (compiled Jun 10 2013,11:58:50)'
_computing_data_collection       
'CrysAlisPro, Agilent Technologies, Version 1.171.36.28e (release 10-06-2013 CrysAlis171 .NET) (compiled Jun 10 2013,11:58:50)'
_computing_data_reduction        
'CrysAlisPro, Agilent Technologies, Version 1.171.36.28e (release 10-06-2013 CrysAlis171 .NET) (compiled Jun 10 2013,11:58:50)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         1.546
_refine_diff_density_min         -1.401
_refine_diff_density_rms         0.135
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     400
_refine_ls_number_reflns         8069
_refine_ls_number_restraints     104
_refine_ls_R_factor_all          0.0761
_refine_ls_R_factor_gt           0.0512
_refine_ls_restrained_S_all      1.033
_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)+(0.0333P)²+6.6324P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1055
_refine_ls_wR_factor_ref         0.1177
_refine_special_details          
;
 Disorder around tBu group. Modelled in two positions of 50% occupancy. C atoms refined isotropically.

 Solvent modelled as half a molecule of diethyl ether per asymmetric unit. 

 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C31-C28 = C30-C29
 1.5 with sigma of 0.02
 O1-C29 = O1-C28
 1.4 with sigma of 0.005
3. Rigid bond restraints
 C20, C21, C22, C23, C24, C25, C26, C27
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
C20 \\sim C21 \\sim C22 \\sim C24 \\sim C25 \\sim C26 \\sim C27: within 1.7A
with sigma of 0.04 and sigma for terminal atoms of 0.08
Uanis(C21) \\sim Ueq, Uanis(C20) \\sim Ueq, Uanis(C27) \\sim Ueq, Uanis(C22)
\\sim Ueq, Uanis(C23) \\sim Ueq, Uanis(C24) \\sim Ueq, Uanis(C26) \\sim Ueq,
Uanis(C25) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
5. Others
 Fixed Sof: C9B(0.35) H9BA(0.35) H9BB(0.35) H9BC(0.35) C10B(0.35) H10A(0.35)
 H10B(0.35) H10C(0.35) C11B(0.35) H11A(0.35) H11B(0.35) H11C(0.35) C29(0.5)
 H29A(0.5) H29B(0.5) C9A(0.65) H9AA(0.65) H9AB(0.65) H9AC(0.65) C10A(0.65)
 H10D(0.65) H10E(0.65) H10F(0.65) C11A(0.65) H11D(0.65) H11E(0.65) H11F(0.65)
 C28(0.5) H28A(0.5) H28B(0.5) C30(0.5) H30A(0.5) H30B(0.5) H30C(0.5) C31(0.5)
 H31A(0.5) H31B(0.5) H31C(0.5)
6.a Ternary CH refined with riding coordinates:
 C12(H12A), C15(H15), C16(H16), C19(H19), C20(H20), C21(H21), C24(H24), C25(H25)
6.b Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C4(H4A,H4B), C13(H13A,H13B), C14(H14A,H14B), C17(H17A,H17B),
 C18(H18A,H18B), C22(H22A,H22B), C23(H23A,H23B), C26(H26A,H26B), C27(H27A,H27B),
  C29(H29A,H29B), C28(H28A,H28B)
6.c Me refined with riding coordinates:
 C9B(H9BA,H9BB,H9BC), C10B(H10A,H10B,H10C), C11B(H11A,H11B,H11C), C9A(H9AA,
 H9AB,H9AC), C10A(H10D,H10E,H10F), C11A(H11D,H11E,H11F), C30(H30A,H30B,H30C),
 C31(H31A,H31B,H31C)
6.d Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6)
6.e Boron cage BH refined with riding coordinates:
 C1(H1), B4(H4), B8(H8), B7(H7), B6(H6A), B5(H5A), B9(H9), B12(H12), B11(H11),
 B10(H10)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_disorder_assembly
_atom_site_disorder_group
_atom_site_site_symmetry_order
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Rh1 Rh 1.30121(4) 0.26708(3) -0.16314(2) 0.02267(10) Uani 1 d . . 1 . . .
N1 N 1.5344(3) 0.2941(4) -0.0732(3) 0.0215(8) Uani 1 d A . 1 . . .
C1 C 0.9122(4) 0.1815(4) 0.2756(3) 0.0223(9) Uani 1 d . . 1 . . .
H1 H 0.9134 0.0825 0.3217 0.027 Uiso 1 calc . . 1 R . .
Rh2 Rh 0.87461(3) 0.31978(3) 0.36528(2) 0.01941(10) Uani 1 d . . 1 . . .
N2 N 1.3803(3) 0.2608(3) 0.0264(2) 0.0155(7) Uani 1 d . . 1 . . .
C2 C 1.0507(4) 0.3196(4) 0.1650(3) 0.0154(8) Uani 1 d . . 1 . . .
C3 C 1.1845(4) 0.3313(4) 0.1258(3) 0.0179(8) Uani 1 d . . 1 . . .
H3A H 1.1702 0.4214 0.0839 0.022 Uiso 1 calc . . 1 R . .
H3B H 1.2401 0.3174 0.1791 0.022 Uiso 1 calc . . 1 R . .
C4 C 1.2596(4) 0.2354(4) 0.0705(3) 0.0194(9) Uani 1 d . . 1 . . .
H4A H 1.2836 0.1450 0.1137 0.023 Uiso 1 calc . . 1 R . .
H4B H 1.2016 0.2426 0.0207 0.023 Uiso 1 calc . . 1 R . .
B4 B 0.7651(5) 0.3124(5) 0.2533(4) 0.0203(10) Uani 1 d . . 1 . . .
H4 H 0.6671 0.3064 0.2843 0.024 Uiso 1 calc . . 1 R . .
C5 C 1.4740(4) 0.2734(4) 0.0754(3) 0.0239(10) Uani 1 d . . 1 . . .
H5 H 1.4712 0.2678 0.1406 0.029 Uiso 1 calc . . 1 R . .
B8 B 0.8070(4) 0.4608(4) 0.2238(3) 0.0148(9) Uani 1 d . . 1 . . .
H8 H 0.7368 0.5567 0.2309 0.018 Uiso 1 calc . . 1 R . .
C6 C 1.5684(5) 0.2948(4) 0.0135(3) 0.0257(10) Uani 1 d . . 1 . . .
H6 H 1.6457 0.3083 0.0264 0.031 Uiso 1 calc . . 1 R . .
B7 B 0.9801(5) 0.4089(4) 0.2448(3) 0.0160(9) Uani 1 d . . 1 . . .
H7 H 1.0286 0.4683 0.2658 0.019 Uiso 1 calc . . 1 R . .
C7 C 1.4160(4) 0.2727(4) -0.0658(3) 0.0171(8) Uani 1 d . . 1 . . .
B6 B 1.0163(5) 0.1800(5) 0.1826(3) 0.0197(10) Uani 1 d . . 1 . . .
H6A H 1.0869 0.0901 0.1664 0.024 Uiso 1 calc . . 1 R . .
C8 C 1.6212(5) 0.3132(5) -0.1590(4) 0.0305(11) Uani 1 d . . 1 . . .
B5 B 0.8460(5) 0.2291(5) 0.1679(4) 0.0217(10) Uani 1 d . . 1 . . .
H5A H 0.7999 0.1701 0.1440 0.026 Uiso 1 calc . . 1 R . .
C9B C 1.5812(19) 0.261(2) -0.2377(14) 0.055(5) Uiso 0.35 d A 2 1 . . .
H9BA H 1.6193 0.1658 -0.2204 0.082 Uiso 0.35 calc A 2 1 R . .
H9BB H 1.6156 0.2993 -0.2998 0.082 Uiso 0.35 calc A 2 1 R . .
H9BC H 1.4846 0.2879 -0.2404 0.082 Uiso 0.35 calc A 2 1 R . .
B9 B 0.7823(5) 0.4023(5) 0.1324(3) 0.0181(9) Uani 1 d . . 1 . . .
H9 H 0.6950 0.4576 0.0842 0.022 Uiso 1 calc . . 1 R . .
C10B C 1.7615(19) 0.233(2) -0.1416(15) 0.058(5) Uiso 0.35 d A 2 1 . . .
H10A H 1.7798 0.2073 -0.0739 0.087 Uiso 0.35 calc A 2 1 R . .
H10B H 1.8174 0.2835 -0.1775 0.087 Uiso 0.35 calc A 2 1 R . .
H10C H 1.7807 0.1543 -0.1616 0.087 Uiso 0.35 calc A 2 1 R . .
B12 B 0.9148(5) 0.4587(4) 0.1276(3) 0.0169(9) Uani 1 d . . 1 . . .
H12 H 0.9190 0.5519 0.0745 0.020 Uiso 1 calc . . 1 R . .
C11B C 1.5811(18) 0.4586(17) -0.2064(13) 0.047(4) Uiso 0.35 d A 2 1 . . .
H11A H 1.6149 0.4991 -0.1700 0.070 Uiso 0.35 calc A 2 1 R . .
H11B H 1.4843 0.4963 -0.2092 0.070 Uiso 0.35 calc A 2 1 R . .
H11C H 1.6180 0.4750 -0.2707 0.070 Uiso 0.35 calc A 2 1 R . .
B11 B 1.0393(5) 0.2294(5) 0.2816(3) 0.0191(10) Uani 1 d . . 1 . . .
H11 H 1.1252 0.1683 0.3302 0.023 Uiso 1 calc . . 1 R . .
C12 C 1.2286(7) 0.2646(5) -0.2938(4) 0.0486(17) Uani 1 d . . 1 . . .
H12A H 1.2020 0.3515 -0.3433 0.058 Uiso 1 calc . . 1 R . .
B10 B 0.9383(5) 0.3192(5) 0.0911(3) 0.0190(10) Uani 1 d . . 1 . . .
H10 H 0.9570 0.3212 0.0151 0.023 Uiso 1 calc . . 1 R . .
C13 C 1.3303(8) 0.1566(6) -0.3268(4) 0.061(2) Uani 1 d . . 1 . . .
H13A H 1.3990 0.1902 -0.3646 0.073 Uiso 1 calc . . 1 R . .
H13B H 1.2870 0.1300 -0.3684 0.073 Uiso 1 calc . . 1 R . .
C14 C 1.3971(7) 0.0362(6) -0.2448(4) 0.0518(17) Uani 1 d . . 1 . . .
H14A H 1.3459 -0.0245 -0.2299 0.062 Uiso 1 calc . . 1 R . .
H14B H 1.4870 -0.0098 -0.2649 0.062 Uiso 1 calc . . 1 R . .
C15 C 1.4071(6) 0.0708(4) -0.1565(4) 0.0337(12) Uani 1 d . . 1 . . .
H15 H 1.5002 0.0410 -0.1342 0.040 Uiso 1 calc . . 1 R . .
C16 C 1.3135(5) 0.0750(4) -0.0827(3) 0.0275(11) Uani 1 d . . 1 . . .
H16 H 1.3530 0.0471 -0.0187 0.033 Uiso 1 calc . . 1 R . .
C17 C 1.1820(6) 0.0574(5) -0.0809(4) 0.0360(12) Uani 1 d . . 1 . . .
H17A H 1.1244 0.0947 -0.0328 0.043 Uiso 1 calc . . 1 R . .
H17B H 1.1949 -0.0373 -0.0617 0.043 Uiso 1 calc . . 1 R . .
C18 C 1.1123(6) 0.1225(5) -0.1767(5) 0.0451(15) Uani 1 d . . 1 . . .
H18A H 1.1459 0.0631 -0.2169 0.054 Uiso 1 calc . . 1 R . .
H18B H 1.0160 0.1388 -0.1670 0.054 Uiso 1 calc . . 1 R . .
C19 C 1.1355(6) 0.2494(5) -0.2259(4) 0.0415(15) Uani 1 d . . 1 . . .
H19 H 1.0534 0.3278 -0.2343 0.050 Uiso 1 calc . . 1 R . .
C20 C 0.7724(7) 0.2268(6) 0.4842(4) 0.0515(15) Uani 1 d . . 1 . U .
H20 H 0.7363 0.1648 0.4702 0.062 Uiso 1 calc . . 1 R . .
C21 C 0.6946(6) 0.3580(6) 0.4485(4) 0.0367(12) Uani 1 d . . 1 . U .
H21 H 0.6131 0.3722 0.4150 0.044 Uiso 1 calc . . 1 R . .
C22 C 0.6834(5) 0.4632(6) 0.4933(4) 0.0364(12) Uani 1 d . . 1 . U .
H22A H 0.6254 0.4541 0.5500 0.044 Uiso 1 calc . . 1 R . .
H22B H 0.6411 0.5499 0.4479 0.044 Uiso 1 calc . . 1 R . .
C23 C 0.8166(5) 0.4577(5) 0.5223(3) 0.0328(11) Uani 1 d . . 1 . U .
H23A H 0.8357 0.4012 0.5883 0.039 Uiso 1 calc . . 1 R . .
H23B H 0.8123 0.5467 0.5200 0.039 Uiso 1 calc . . 1 R . .
C24 C 0.9284(5) 0.4044(5) 0.4574(3) 0.0307(11) Uani 1 d . . 1 . U .
H24 H 0.9765 0.4668 0.4244 0.037 Uiso 1 calc . . 1 R . .
C25 C 1.0088(6) 0.2732(6) 0.4771(4) 0.0436(14) Uani 1 d . . 1 . U .
H25 H 1.1024 0.2612 0.4550 0.052 Uiso 1 calc . . 1 R . .
C26 C 0.9956(8) 0.1652(7) 0.5595(4) 0.069(2) Uani 1 d . . 1 . U .
H26A H 1.0274 0.1721 0.6168 0.082 Uiso 1 calc . . 1 R . .
H26B H 1.0519 0.0808 0.5494 0.082 Uiso 1 calc . . 1 R . .
C27 C 0.8539(9) 0.1673(6) 0.5754(4) 0.069(2) Uani 1 d . . 1 . U .
H27A H 0.8107 0.2182 0.6203 0.083 Uiso 1 calc . . 1 R . .
H27B H 0.8539 0.0767 0.6051 0.083 Uiso 1 calc . . 1 R . .
O1 O 1.5000 0.0000 0.5000 0.0452(14) Uani 1 d . . 2 DS T P
C29 C 1.3911(8) 0.0725(9) 0.4414(7) 0.037(3) Uani 0.50 d B -2 1 D . .
H29A H 1.3078 0.0840 0.4788 0.045 Uiso 0.50 calc B -2 1 R . .
H29B H 1.3882 0.0290 0.3941 0.045 Uiso 0.50 calc B -2 1 R . .
C9A C 1.7058(12) 0.3912(12) -0.1474(9) 0.073(3) Uiso 0.65 d A 1 1 . . .
H9AA H 1.7558 0.3455 -0.0884 0.109 Uiso 0.65 calc A 1 1 R . .
H9AB H 1.6481 0.4785 -0.1455 0.109 Uiso 0.65 calc A 1 1 R . .
H9AC H 1.7676 0.3993 -0.2010 0.109 Uiso 0.65 calc A 1 1 R . .
C10A C 1.5448(12) 0.3782(12) -0.2468(9) 0.069(3) Uiso 0.65 d A 1 1 . . .
H10D H 1.4545 0.4289 -0.2327 0.103 Uiso 0.65 calc A 1 1 R . .
H10E H 1.5420 0.3122 -0.2749 0.103 Uiso 0.65 calc A 1 1 R . .
H10F H 1.5869 0.4369 -0.2913 0.103 Uiso 0.65 calc A 1 1 R . .
C11A C 1.7143(10) 0.1807(10) -0.1608(7) 0.051(2) Uiso 0.65 d A 1 1 . . .
H11D H 1.7749 0.1902 -0.2150 0.076 Uiso 0.65 calc A 1 1 R . .
H11E H 1.6635 0.1272 -0.1666 0.076 Uiso 0.65 calc A 1 1 R . .
H11F H 1.7652 0.1382 -0.1021 0.076 Uiso 0.65 calc A 1 1 R . .
C28 C 1.5096(12) 0.1230(7) 0.4465(8) 0.045(3) Uani 0.50 d B -1 1 D . .
H28A H 1.5890 0.1090 0.4052 0.054 Uiso 0.50 calc B -1 1 R . .
H28B H 1.5220 0.1676 0.4904 0.054 Uiso 0.50 calc B -1 1 R . .
C30 C 1.411(3) 0.202(2) 0.394(2) 0.050(8) Uani 0.50 d B -2 1 D . .
H30A H 1.4098 0.2452 0.4416 0.076 Uiso 0.50 calc B -2 1 R . .
H30B H 1.3390 0.2578 0.3486 0.076 Uiso 0.50 calc B -2 1 R . .
H30C H 1.4958 0.1882 0.3601 0.076 Uiso 0.50 calc B -2 1 R . .
C31 C 1.390(3) 0.211(3) 0.386(3) 0.060(11) Uani 0.50 d B -1 1 D . .
H31A H 1.3815 0.1706 0.3391 0.090 Uiso 0.50 calc B -1 1 R . .
H31B H 1.4013 0.2957 0.3539 0.090 Uiso 0.50 calc B -1 1 R . .
H31C H 1.3109 0.2231 0.4263 0.090 Uiso 0.50 calc B -1 1 R . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
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 C7 2.043(4) . ?
Rh1 C12 2.190(5) . ?
Rh1 C15 2.104(5) . ?
Rh1 C16 2.109(5) . ?
Rh1 C19 2.207(5) . ?
N1 C6 1.385(6) . ?
N1 C7 1.368(5) . ?
N1 C8 1.498(6) . ?
C1 H1 1.1200 . ?
C1 Rh2 2.276(4) . ?
C1 B4 1.734(7) . ?
C1 B6 1.678(7) . ?
C1 B5 1.680(6) . ?
C1 B11 1.666(7) . ?
Rh2 B4 2.191(5) . ?
Rh2 B8 2.229(5) . ?
Rh2 B7 2.177(5) . ?
Rh2 B11 2.184(5) . ?
Rh2 C20 2.159(5) . ?
Rh2 C21 2.163(5) . ?
Rh2 C24 2.136(5) . ?
Rh2 C25 2.149(5) . ?
N2 C4 1.469(5) . ?
N2 C5 1.383(5) . ?
N2 C7 1.358(5) . ?
C2 C3 1.527(6) . ?
C2 B7 1.740(6) . ?
C2 B6 1.698(6) . ?
C2 B12 1.727(6) . ?
C2 B11 1.733(6) . ?
C2 B10 1.732(6) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.523(6) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
B4 H4 1.1200 . ?
B4 B8 1.815(7) . ?
B4 B5 1.787(7) . ?
B4 B9 1.795(7) . ?
C5 H5 0.9500 . ?
C5 C6 1.326(7) . ?
B8 H8 1.1200 . ?
B8 B7 1.783(6) . ?
B8 B9 1.774(6) . ?
B8 B12 1.736(7) . ?
C6 H6 0.9500 . ?
B7 H7 1.1200 . ?
B7 B12 1.801(6) . ?
B7 B11 1.835(7) . ?
B6 H6A 1.1200 . ?
B6 B5 1.741(7) . ?
B6 B11 1.804(7) . ?
B6 B10 1.749(7) . ?
C8 C9B 1.624(19) . ?
C8 C10B 1.47(2) . ?
C8 C11B 1.508(18) . ?
C8 C9A 1.537(13) . ?
C8 C10A 1.465(12) . ?
C8 C11A 1.499(11) . ?
B5 H5A 1.1200 . ?
B5 B9 1.771(7) . ?
B5 B10 1.754(7) . ?
C9B H9BA 0.9800 . ?
C9B H9BB 0.9800 . ?
C9B H9BC 0.9800 . ?
B9 H9 1.1200 . ?
B9 B12 1.750(7) . ?
B9 B10 1.764(7) . ?
C10B H10A 0.9800 . ?
C10B H10B 0.9800 . ?
C10B H10C 0.9800 . ?
B12 H12 1.1200 . ?
B12 B10 1.767(6) . ?
C11B H11A 0.9800 . ?
C11B H11B 0.9800 . ?
C11B H11C 0.9800 . ?
B11 H11 1.1200 . ?
C12 H12A 1.0000 . ?
C12 C13 1.507(9) . ?
C12 C19 1.354(9) . ?
B10 H10 1.1200 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.534(8) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.511(7) . ?
C15 H15 1.0000 . ?
C15 C16 1.402(7) . ?
C16 H16 1.0000 . ?
C16 C17 1.498(7) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C18 1.530(7) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C19 1.498(8) . ?
C19 H19 1.0000 . ?
C20 H20 1.0000 . ?
C20 C21 1.398(8) . ?
C20 C27 1.536(9) . ?
C21 H21 1.0000 . ?
C21 C22 1.512(7) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C23 1.523(7) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.529(7) . ?
C24 H24 1.0000 . ?
C24 C25 1.397(7) . ?
C25 H25 1.0000 . ?
C25 C26 1.476(9) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C27 1.511(11) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
O1 C29 1.389(5) . ?
O1 C29 1.389(5) 2_856 ?
O1 C28 1.414(5) 2_856 ?
O1 C28 1.414(5) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 C30 1.506(18) . ?
C9A H9AA 0.9800 . ?
C9A H9AB 0.9800 . ?
C9A H9AC 0.9800 . ?
C10A H10D 0.9800 . ?
C10A H10E 0.9800 . ?
C10A H10F 0.9800 . ?
C11A H11D 0.9800 . ?
C11A H11E 0.9800 . ?
C11A H11F 0.9800 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28 C31 1.505(19) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?

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
C7 Rh1 C12 163.2(2) . . ?
C7 Rh1 C15 94.58(18) . . ?
C7 Rh1 C16 89.64(17) . . ?
C7 Rh1 C19 160.8(2) . . ?
C12 Rh1 C19 35.9(2) . . ?
C15 Rh1 C12 81.6(2) . . ?
C15 Rh1 C16 38.9(2) . . ?
C15 Rh1 C19 88.2(2) . . ?
C16 Rh1 C12 97.2(2) . . ?
C16 Rh1 C19 80.61(19) . . ?
C6 N1 C8 122.0(4) . . ?
C7 N1 C6 110.0(4) . . ?
C7 N1 C8 128.0(4) . . ?
Rh2 C1 H1 110.0 . . ?
B4 C1 H1 120.7 . . ?
B4 C1 Rh2 64.6(2) . . ?
B6 C1 H1 114.7 . . ?
B6 C1 Rh2 124.3(3) . . ?
B6 C1 B4 114.0(3) . . ?
B6 C1 B5 62.5(3) . . ?
B5 C1 H1 115.5 . . ?
B5 C1 Rh2 122.7(3) . . ?
B5 C1 B4 63.1(3) . . ?
B11 C1 H1 118.4 . . ?
B11 C1 Rh2 65.2(2) . . ?
B11 C1 B4 111.5(3) . . ?
B11 C1 B6 65.3(3) . . ?
B11 C1 B5 116.0(4) . . ?
B4 Rh2 C1 45.63(17) . . ?
B4 Rh2 B8 48.50(17) . . ?
B8 Rh2 C1 78.79(15) . . ?
B7 Rh2 C1 78.85(16) . . ?
B7 Rh2 B4 82.25(18) . . ?
B7 Rh2 B8 47.74(17) . . ?
B7 Rh2 B11 49.78(17) . . ?
B11 Rh2 C1 43.79(17) . . ?
B11 Rh2 B4 79.93(19) . . ?
B11 Rh2 B8 82.29(17) . . ?
C20 Rh2 C1 99.9(2) . . ?
C20 Rh2 B4 97.3(2) . . ?
C20 Rh2 B8 132.8(2) . . ?
C20 Rh2 B7 178.6(2) . . ?
C20 Rh2 B11 128.8(2) . . ?
C20 Rh2 C21 37.7(2) . . ?
C21 Rh2 C1 119.46(18) . . ?
C21 Rh2 B4 89.8(2) . . ?
C21 Rh2 B8 101.8(2) . . ?
C21 Rh2 B7 143.5(2) . . ?
C21 Rh2 B11 162.15(19) . . ?
C24 Rh2 C1 155.17(17) . . ?
C24 Rh2 B4 157.24(19) . . ?
C24 Rh2 B8 113.24(18) . . ?
C24 Rh2 B7 93.25(19) . . ?
C24 Rh2 B11 114.03(19) . . ?
C24 Rh2 C20 87.7(2) . . ?
C24 Rh2 C21 80.6(2) . . ?
C24 Rh2 C25 38.1(2) . . ?
C25 Rh2 C1 119.68(18) . . ?
C25 Rh2 B4 164.7(2) . . ?
C25 Rh2 B8 141.9(2) . . ?
C25 Rh2 B7 100.1(2) . . ?
C25 Rh2 B11 90.05(19) . . ?
C25 Rh2 C20 79.9(3) . . ?
C25 Rh2 C21 96.7(2) . . ?
C5 N2 C4 123.4(4) . . ?
C7 N2 C4 125.2(3) . . ?
C7 N2 C5 111.3(4) . . ?
C3 C2 B7 113.5(3) . . ?
C3 C2 B6 121.5(3) . . ?
C3 C2 B12 115.9(3) . . ?
C3 C2 B11 119.3(3) . . ?
C3 C2 B10 119.9(3) . . ?
B6 C2 B7 116.6(3) . . ?
B6 C2 B12 112.7(3) . . ?
B6 C2 B11 63.4(3) . . ?
B6 C2 B10 61.3(3) . . ?
B12 C2 B7 62.6(3) . . ?
B12 C2 B11 113.8(3) . . ?
B12 C2 B10 61.5(3) . . ?
B11 C2 B7 63.8(3) . . ?
B10 C2 B7 114.3(3) . . ?
B10 C2 B11 113.4(3) . . ?
C2 C3 H3A 108.7 . . ?
C2 C3 H3B 108.7 . . ?
H3A C3 H3B 107.6 . . ?
C4 C3 C2 114.3(3) . . ?
C4 C3 H3A 108.7 . . ?
C4 C3 H3B 108.7 . . ?
N2 C4 C3 111.5(3) . . ?
N2 C4 H4A 109.3 . . ?
N2 C4 H4B 109.3 . . ?
C3 C4 H4A 109.3 . . ?
C3 C4 H4B 109.3 . . ?
H4A C4 H4B 108.0 . . ?
C1 B4 Rh2 69.8(2) . . ?
C1 B4 H4 123.9 . . ?
C1 B4 B8 107.3(3) . . ?
C1 B4 B5 57.0(3) . . ?
C1 B4 B9 103.8(3) . . ?
Rh2 B4 H4 106.9 . . ?
B8 B4 Rh2 66.8(2) . . ?
B8 B4 H4 122.9 . . ?
B5 B4 Rh2 121.9(3) . . ?
B5 B4 H4 120.5 . . ?
B5 B4 B8 107.0(3) . . ?
B5 B4 B9 59.3(3) . . ?
B9 B4 Rh2 120.3(3) . . ?
B9 B4 H4 121.9 . . ?
B9 B4 B8 58.9(3) . . ?
N2 C5 H5 126.7 . . ?
C6 C5 N2 106.6(4) . . ?
C6 C5 H5 126.7 . . ?
Rh2 B8 H8 111.0 . . ?
B4 B8 Rh2 64.7(2) . . ?
B4 B8 H8 124.1 . . ?
B7 B8 Rh2 64.6(2) . . ?
B7 B8 B4 105.9(3) . . ?
B7 B8 H8 122.4 . . ?
B9 B8 Rh2 119.3(3) . . ?
B9 B8 B4 60.0(3) . . ?
B9 B8 H8 119.2 . . ?
B9 B8 B7 109.0(3) . . ?
B12 B8 Rh2 119.7(3) . . ?
B12 B8 B4 106.8(3) . . ?
B12 B8 H8 119.4 . . ?
B12 B8 B7 61.5(3) . . ?
B12 B8 B9 59.8(3) . . ?
N1 C6 H6 126.0 . . ?
C5 C6 N1 108.0(4) . . ?
C5 C6 H6 126.0 . . ?
Rh2 B7 H7 110.0 . . ?
C2 B7 Rh2 116.6(3) . . ?
C2 B7 B8 103.4(3) . . ?
C2 B7 H7 123.2 . . ?
C2 B7 B12 58.3(2) . . ?
C2 B7 B11 57.9(2) . . ?
B8 B7 Rh2 67.7(2) . . ?
B8 B7 H7 123.6 . . ?
B8 B7 B12 58.0(3) . . ?
B8 B7 B11 106.7(3) . . ?
B12 B7 Rh2 119.3(3) . . ?
B12 B7 H7 121.0 . . ?
B12 B7 B11 105.7(3) . . ?
B11 B7 Rh2 65.3(2) . . ?
B11 B7 H7 123.6 . . ?
N1 C7 Rh1 132.3(3) . . ?
N2 C7 Rh1 123.5(3) . . ?
N2 C7 N1 104.1(3) . . ?
C1 B6 C2 102.0(3) . . ?
C1 B6 H6A 125.4 . . ?
C1 B6 B5 58.8(3) . . ?
C1 B6 B11 57.0(3) . . ?
C1 B6 B10 106.2(3) . . ?
C2 B6 H6A 124.2 . . ?
C2 B6 B5 105.6(3) . . ?
C2 B6 B11 59.2(3) . . ?
C2 B6 B10 60.3(3) . . ?
B5 B6 H6A 122.5 . . ?
B5 B6 B11 106.3(3) . . ?
B5 B6 B10 60.3(3) . . ?
B11 B6 H6A 122.2 . . ?
B10 B6 H6A 120.6 . . ?
B10 B6 B11 109.2(3) . . ?
N1 C8 C9B 109.8(8) . . ?
N1 C8 C11B 106.6(8) . . ?
N1 C8 C9A 108.5(6) . . ?
N1 C8 C11A 107.5(5) . . ?
C10B C8 N1 113.7(9) . . ?
C10B C8 C9B 102.6(11) . . ?
C10B C8 C11B 120.9(11) . . ?
C10B C8 C9A 67.4(10) . . ?
C10B C8 C11A 40.3(8) . . ?
C11B C8 C9B 102.2(10) . . ?
C11B C8 C9A 59.7(8) . . ?
C9A C8 C9B 141.1(9) . . ?
C10A C8 N1 112.2(6) . . ?
C10A C8 C9B 46.1(8) . . ?
C10A C8 C10B 131.4(10) . . ?
C10A C8 C11B 57.0(8) . . ?
C10A C8 C9A 111.3(8) . . ?
C10A C8 C11A 110.1(7) . . ?
C11A C8 C9B 67.4(8) . . ?
C11A C8 C11B 145.9(9) . . ?
C11A C8 C9A 107.1(7) . . ?
C1 B5 B4 59.9(3) . . ?
C1 B5 B6 58.7(3) . . ?
C1 B5 H5A 123.3 . . ?
C1 B5 B9 107.1(3) . . ?
C1 B5 B10 105.9(4) . . ?
B4 B5 H5A 121.0 . . ?
B6 B5 B4 108.4(3) . . ?
B6 B5 H5A 121.6 . . ?
B6 B5 B9 108.5(4) . . ?
B6 B5 B10 60.0(3) . . ?
B9 B5 B4 60.6(3) . . ?
B9 B5 H5A 121.5 . . ?
B10 B5 B4 108.4(3) . . ?
B10 B5 H5A 122.2 . . ?
B10 B5 B9 60.1(3) . . ?
C8 C9B H9BA 109.5 . . ?
C8 C9B H9BB 109.5 . . ?
C8 C9B H9BC 109.5 . . ?
H9BA C9B H9BB 109.5 . . ?
H9BA C9B H9BC 109.5 . . ?
H9BB C9B H9BC 109.5 . . ?
B4 B9 H9 121.8 . . ?
B8 B9 B4 61.1(3) . . ?
B8 B9 H9 120.8 . . ?
B5 B9 B4 60.1(3) . . ?
B5 B9 B8 109.5(3) . . ?
B5 B9 H9 121.5 . . ?
B12 B9 B4 107.1(3) . . ?
B12 B9 B8 59.0(3) . . ?
B12 B9 B5 107.6(3) . . ?
B12 B9 H9 122.6 . . ?
B12 B9 B10 60.4(3) . . ?
B10 B9 B4 107.6(3) . . ?
B10 B9 B8 108.6(3) . . ?
B10 B9 B5 59.5(3) . . ?
B10 B9 H9 121.7 . . ?
C8 C10B H10A 109.5 . . ?
C8 C10B H10B 109.5 . . ?
C8 C10B H10C 109.5 . . ?
H10A C10B H10B 109.5 . . ?
H10A C10B H10C 109.5 . . ?
H10B C10B H10C 109.5 . . ?
C2 B12 B8 105.9(3) . . ?
C2 B12 B7 59.1(2) . . ?
C2 B12 B9 105.3(3) . . ?
C2 B12 H12 124.5 . . ?
C2 B12 B10 59.4(2) . . ?
B8 B12 B7 60.5(3) . . ?
B8 B12 B9 61.2(3) . . ?
B8 B12 H12 121.1 . . ?
B8 B12 B10 110.2(3) . . ?
B7 B12 H12 120.7 . . ?
B9 B12 B7 109.3(3) . . ?
B9 B12 H12 121.9 . . ?
B9 B12 B10 60.2(3) . . ?
B10 B12 B7 109.7(3) . . ?
B10 B12 H12 120.3 . . ?
C8 C11B H11A 109.5 . . ?
C8 C11B H11B 109.5 . . ?
C8 C11B H11C 109.5 . . ?
H11A C11B H11B 109.5 . . ?
H11A C11B H11C 109.5 . . ?
H11B C11B H11C 109.5 . . ?
C1 B11 Rh2 71.0(2) . . ?
C1 B11 C2 101.0(3) . . ?
C1 B11 B7 107.7(3) . . ?
C1 B11 B6 57.7(3) . . ?
C1 B11 H11 123.4 . . ?
Rh2 B11 H11 107.8 . . ?
C2 B11 Rh2 116.6(3) . . ?
C2 B11 B7 58.3(2) . . ?
C2 B11 B6 57.3(2) . . ?
C2 B11 H11 125.1 . . ?
B7 B11 Rh2 64.9(2) . . ?
B7 B11 H11 123.1 . . ?
B6 B11 Rh2 122.9(3) . . ?
B6 B11 B7 107.0(3) . . ?
B6 B11 H11 120.0 . . ?
Rh1 C12 H12A 114.1 . . ?
C13 C12 Rh1 107.8(4) . . ?
C13 C12 H12A 114.1 . . ?
C19 C12 Rh1 72.8(3) . . ?
C19 C12 H12A 114.1 . . ?
C19 C12 C13 125.7(6) . . ?
C2 B10 B6 58.4(3) . . ?
C2 B10 B5 103.7(3) . . ?
C2 B10 B9 104.5(3) . . ?
C2 B10 B12 59.1(2) . . ?
C2 B10 H10 125.2 . . ?
B6 B10 B5 59.6(3) . . ?
B6 B10 B9 108.5(4) . . ?
B6 B10 B12 108.3(3) . . ?
B6 B10 H10 121.3 . . ?
B5 B10 B9 60.5(3) . . ?
B5 B10 B12 107.6(3) . . ?
B5 B10 H10 122.8 . . ?
B9 B10 B12 59.4(3) . . ?
B9 B10 H10 122.2 . . ?
B12 B10 H10 121.5 . . ?
C12 C13 H13A 109.0 . . ?
C12 C13 H13B 109.0 . . ?
C12 C13 C14 112.9(5) . . ?
H13A C13 H13B 107.8 . . ?
C14 C13 H13A 109.0 . . ?
C14 C13 H13B 109.0 . . ?
C13 C14 H14A 109.0 . . ?
C13 C14 H14B 109.0 . . ?
H14A C14 H14B 107.8 . . ?
C15 C14 C13 112.8(4) . . ?
C15 C14 H14A 109.0 . . ?
C15 C14 H14B 109.0 . . ?
Rh1 C15 H15 113.2 . . ?
C14 C15 Rh1 114.0(3) . . ?
C14 C15 H15 113.2 . . ?
C16 C15 Rh1 70.7(3) . . ?
C16 C15 C14 125.4(5) . . ?
C16 C15 H15 113.2 . . ?
Rh1 C16 H16 113.8 . . ?
C15 C16 Rh1 70.4(3) . . ?
C15 C16 H16 113.8 . . ?
C15 C16 C17 126.4(4) . . ?
C17 C16 Rh1 110.0(3) . . ?
C17 C16 H16 113.8 . . ?
C16 C17 H17A 109.0 . . ?
C16 C17 H17B 109.0 . . ?
C16 C17 C18 112.9(5) . . ?
H17A C17 H17B 107.8 . . ?
C18 C17 H17A 109.0 . . ?
C18 C17 H17B 109.0 . . ?
C17 C18 H18A 109.4 . . ?
C17 C18 H18B 109.4 . . ?
H18A C18 H18B 108.0 . . ?
C19 C18 C17 111.0(4) . . ?
C19 C18 H18A 109.4 . . ?
C19 C18 H18B 109.4 . . ?
Rh1 C19 H19 113.8 . . ?
C12 C19 Rh1 71.4(3) . . ?
C12 C19 C18 124.7(5) . . ?
C12 C19 H19 113.8 . . ?
C18 C19 Rh1 112.0(3) . . ?
C18 C19 H19 113.8 . . ?
Rh2 C20 H20 113.4 . . ?
C21 C20 Rh2 71.3(3) . . ?
C21 C20 H20 113.4 . . ?
C21 C20 C27 125.6(6) . . ?
C27 C20 Rh2 112.4(5) . . ?
C27 C20 H20 113.4 . . ?
Rh2 C21 H21 114.4 . . ?
C20 C21 Rh2 71.0(3) . . ?
C20 C21 H21 114.4 . . ?
C20 C21 C22 124.2(5) . . ?
C22 C21 Rh2 110.3(3) . . ?
C22 C21 H21 114.4 . . ?
C21 C22 H22A 109.0 . . ?
C21 C22 H22B 109.0 . . ?
C21 C22 C23 113.1(4) . . ?
H22A C22 H22B 107.8 . . ?
C23 C22 H22A 109.0 . . ?
C23 C22 H22B 109.0 . . ?
C22 C23 H23A 109.3 . . ?
C22 C23 H23B 109.3 . . ?
C22 C23 C24 111.6(4) . . ?
H23A C23 H23B 108.0 . . ?
C24 C23 H23A 109.3 . . ?
C24 C23 H23B 109.3 . . ?
Rh2 C24 H24 113.4 . . ?
C23 C24 Rh2 114.4(3) . . ?
C23 C24 H24 113.4 . . ?
C25 C24 Rh2 71.5(3) . . ?
C25 C24 C23 124.0(5) . . ?
C25 C24 H24 113.4 . . ?
Rh2 C25 H25 113.4 . . ?
C24 C25 Rh2 70.5(3) . . ?
C24 C25 H25 113.4 . . ?
C24 C25 C26 126.0(5) . . ?
C26 C25 Rh2 112.6(5) . . ?
C26 C25 H25 113.4 . . ?
C25 C26 H26A 109.2 . . ?
C25 C26 H26B 109.2 . . ?
C25 C26 C27 112.0(5) . . ?
H26A C26 H26B 107.9 . . ?
C27 C26 H26A 109.2 . . ?
C27 C26 H26B 109.2 . . ?
C20 C27 H27A 108.9 . . ?
C20 C27 H27B 108.9 . . ?
C26 C27 C20 113.5(5) . . ?
C26 C27 H27A 108.9 . . ?
C26 C27 H27B 108.9 . . ?
H27A C27 H27B 107.7 . . ?
C29 O1 C29 180.000(2) 2_856 . ?
C29 O1 C28 69.3(6) 2_856 2_856 ?
C29 O1 C28 110.7(7) 2_856 . ?
C29 O1 C28 110.7(7) . 2_856 ?
C29 O1 C28 69.3(6) . . ?
C28 O1 C28 179.998(2) . 2_856 ?
O1 C29 H29A 110.8 . . ?
O1 C29 H29B 110.8 . . ?
O1 C29 C30 104.8(13) . . ?
H29A C29 H29B 108.9 . . ?
C30 C29 H29A 110.8 . . ?
C30 C29 H29B 110.8 . . ?
C8 C9A H9AA 109.5 . . ?
C8 C9A H9AB 109.5 . . ?
C8 C9A H9AC 109.5 . . ?
H9AA C9A H9AB 109.5 . . ?
H9AA C9A H9AC 109.5 . . ?
H9AB C9A H9AC 109.5 . . ?
C8 C10A H10D 109.5 . . ?
C8 C10A H10E 109.5 . . ?
C8 C10A H10F 109.5 . . ?
H10D C10A H10E 109.5 . . ?
H10D C10A H10F 109.5 . . ?
H10E C10A H10F 109.5 . . ?
C8 C11A H11D 109.5 . . ?
C8 C11A H11E 109.5 . . ?
C8 C11A H11F 109.5 . . ?
H11D C11A H11E 109.5 . . ?
H11D C11A H11F 109.5 . . ?
H11E C11A H11F 109.5 . . ?
O1 C28 H28A 108.8 . . ?
O1 C28 H28B 108.8 . . ?
O1 C28 C31 113.7(13) . . ?
H28A C28 H28B 107.7 . . ?
C31 C28 H28A 108.8 . . ?
C31 C28 H28B 108.8 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C28 C31 H31A 109.5 . . ?
C28 C31 H31B 109.5 . . ?
C28 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?

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
Rh1 C12 C13 C14 36.3(7) . . . . ?
Rh1 C12 C19 C18 -104.3(5) . . . . ?
Rh1 C15 C16 C17 100.8(5) . . . . ?
Rh1 C16 C17 C18 40.7(5) . . . . ?
C1 Rh2 B4 B8 -120.2(3) . . . . ?
C1 Rh2 B4 B5 -23.9(3) . . . . ?
C1 Rh2 B4 B9 -94.5(4) . . . . ?
C1 Rh2 B8 B4 39.1(2) . . . . ?
C1 Rh2 B8 B7 -85.1(2) . . . . ?
C1 Rh2 B8 B9 13.4(3) . . . . ?
C1 Rh2 B8 B12 -56.5(3) . . . . ?
C1 Rh2 B7 C2 -9.3(3) . . . . ?
C1 Rh2 B7 B8 84.9(2) . . . . ?
C1 Rh2 B7 B12 57.6(3) . . . . ?
C1 Rh2 B7 B11 -37.2(2) . . . . ?
C1 Rh2 B11 C2 93.1(4) . . . . ?
C1 Rh2 B11 B7 121.1(3) . . . . ?
C1 Rh2 B11 B6 26.4(3) . . . . ?
C1 Rh2 C20 C21 -126.2(3) . . . . ?
C1 Rh2 C20 C27 112.1(4) . . . . ?
C1 Rh2 C21 C20 65.9(4) . . . . ?
C1 Rh2 C21 C22 -173.7(3) . . . . ?
C1 Rh2 C24 C23 -151.8(4) . . . . ?
C1 Rh2 C24 C25 -32.1(6) . . . . ?
C1 Rh2 C25 C24 165.1(3) . . . . ?
C1 Rh2 C25 C26 -73.0(5) . . . . ?
C1 B4 B8 Rh2 -58.2(3) . . . . ?
C1 B4 B8 B7 -7.1(4) . . . . ?
C1 B4 B8 B9 95.9(4) . . . . ?
C1 B4 B8 B12 57.3(4) . . . . ?
C1 B4 B5 B6 -34.5(3) . . . . ?
C1 B4 B5 B9 -135.8(4) . . . . ?
C1 B4 B5 B10 -98.1(4) . . . . ?
C1 B4 B9 B8 -102.1(3) . . . . ?
C1 B4 B9 B5 37.0(3) . . . . ?
C1 B4 B9 B12 -63.8(4) . . . . ?
C1 B4 B9 B10 -0.2(4) . . . . ?
C1 B6 B5 B4 35.0(3) . . . . ?
C1 B6 B5 B9 99.2(4) . . . . ?
C1 B6 B5 B10 136.1(3) . . . . ?
C1 B6 B11 Rh2 -29.9(3) . . . . ?
C1 B6 B11 C2 -132.5(3) . . . . ?
C1 B6 B11 B7 -100.6(4) . . . . ?
C1 B6 B10 C2 94.8(3) . . . . ?
C1 B6 B10 B5 -38.2(3) . . . . ?
C1 B6 B10 B9 -1.1(4) . . . . ?
C1 B6 B10 B12 61.9(4) . . . . ?
C1 B5 B9 B4 -39.2(3) . . . . ?
C1 B5 B9 B8 -1.7(5) . . . . ?
C1 B5 B9 B12 60.8(4) . . . . ?
C1 B5 B9 B10 98.8(4) . . . . ?
C1 B5 B10 C2 -1.8(4) . . . . ?
C1 B5 B10 B6 38.1(3) . . . . ?
C1 B5 B10 B9 -100.9(4) . . . . ?
C1 B5 B10 B12 -63.3(4) . . . . ?
Rh2 C1 B4 B8 56.4(3) . . . . ?
Rh2 C1 B4 B5 155.8(3) . . . . ?
Rh2 C1 B4 B9 117.6(3) . . . . ?
Rh2 C1 B6 C2 -11.3(4) . . . . ?
Rh2 C1 B6 B5 -112.4(3) . . . . ?
Rh2 C1 B6 B11 29.1(3) . . . . ?
Rh2 C1 B6 B10 -73.6(4) . . . . ?
Rh2 C1 B5 B4 -26.1(3) . . . . ?
Rh2 C1 B5 B6 114.9(4) . . . . ?
Rh2 C1 B5 B9 13.3(5) . . . . ?
Rh2 C1 B5 B10 76.2(4) . . . . ?
Rh2 C1 B11 C2 -114.5(3) . . . . ?
Rh2 C1 B11 B7 -54.5(2) . . . . ?
Rh2 C1 B11 B6 -153.7(3) . . . . ?
Rh2 B4 B8 B7 51.1(2) . . . . ?
Rh2 B4 B8 B9 154.1(3) . . . . ?
Rh2 B4 B8 B12 115.5(3) . . . . ?
Rh2 B4 B5 C1 27.0(3) . . . . ?
Rh2 B4 B5 B6 -7.5(5) . . . . ?
Rh2 B4 B5 B9 -108.8(4) . . . . ?
Rh2 B4 B5 B10 -71.1(4) . . . . ?
Rh2 B4 B9 B8 -27.7(3) . . . . ?
Rh2 B4 B9 B5 111.4(4) . . . . ?
Rh2 B4 B9 B12 10.6(4) . . . . ?
Rh2 B4 B9 B10 74.2(4) . . . . ?
Rh2 B8 B7 C2 113.6(3) . . . . ?
Rh2 B8 B7 B12 151.9(3) . . . . ?
Rh2 B8 B7 B11 53.5(2) . . . . ?
Rh2 B8 B9 B4 26.9(3) . . . . ?
Rh2 B8 B9 B5 -10.1(5) . . . . ?
Rh2 B8 B9 B12 -109.3(3) . . . . ?
Rh2 B8 B9 B10 -73.4(4) . . . . ?
Rh2 B8 B12 C2 9.8(4) . . . . ?
Rh2 B8 B12 B7 -29.4(3) . . . . ?
Rh2 B8 B12 B9 108.7(3) . . . . ?
Rh2 B8 B12 B10 72.4(4) . . . . ?
Rh2 B7 B12 C2 -104.9(3) . . . . ?
Rh2 B7 B12 B8 30.0(3) . . . . ?
Rh2 B7 B12 B9 -8.3(4) . . . . ?
Rh2 B7 B12 B10 -72.6(4) . . . . ?
Rh2 B7 B11 C1 58.2(3) . . . . ?
Rh2 B7 B11 C2 150.5(3) . . . . ?
Rh2 B7 B11 B6 118.9(3) . . . . ?
Rh2 C20 C21 C22 -102.1(5) . . . . ?
Rh2 C20 C27 C26 -10.1(7) . . . . ?
Rh2 C21 C22 C23 -35.1(6) . . . . ?
Rh2 C24 C25 C26 -104.3(7) . . . . ?
Rh2 C25 C26 C27 -34.7(7) . . . . ?
N2 C5 C6 N1 -0.7(5) . . . . ?
C2 C3 C4 N2 174.0(3) . . . . ?
C2 B7 B12 B8 135.0(3) . . . . ?
C2 B7 B12 B9 96.6(3) . . . . ?
C2 B7 B12 B10 32.4(3) . . . . ?
C2 B7 B11 C1 -92.2(3) . . . . ?
C2 B7 B11 Rh2 -150.5(3) . . . . ?
C2 B7 B11 B6 -31.5(3) . . . . ?
C2 B6 B5 C1 -94.8(3) . . . . ?
C2 B6 B5 B4 -59.8(4) . . . . ?
C2 B6 B5 B9 4.4(4) . . . . ?
C2 B6 B5 B10 41.3(3) . . . . ?
C2 B6 B11 C1 132.5(3) . . . . ?
C2 B6 B11 Rh2 102.6(3) . . . . ?
C2 B6 B11 B7 31.9(3) . . . . ?
C2 B6 B10 B5 -133.0(3) . . . . ?
C2 B6 B10 B9 -95.9(3) . . . . ?
C2 B6 B10 B12 -33.0(3) . . . . ?
C2 B12 B10 B6 32.7(3) . . . . ?
C2 B12 B10 B5 95.7(3) . . . . ?
C2 B12 B10 B9 133.7(3) . . . . ?
C3 C2 B7 Rh2 -142.4(3) . . . . ?
C3 C2 B7 B8 146.1(3) . . . . ?
C3 C2 B7 B12 108.1(4) . . . . ?
C3 C2 B7 B11 -112.3(4) . . . . ?
C3 C2 B6 C1 148.8(4) . . . . ?
C3 C2 B6 B5 -150.6(4) . . . . ?
C3 C2 B6 B11 109.5(4) . . . . ?
C3 C2 B6 B10 -109.3(4) . . . . ?
C3 C2 B12 B8 -144.2(3) . . . . ?
C3 C2 B12 B7 -104.3(4) . . . . ?
C3 C2 B12 B9 152.0(3) . . . . ?
C3 C2 B12 B10 111.5(4) . . . . ?
C3 C2 B11 C1 -152.4(3) . . . . ?
C3 C2 B11 Rh2 133.4(3) . . . . ?
C3 C2 B11 B7 103.5(4) . . . . ?
C3 C2 B11 B6 -113.0(4) . . . . ?
C3 C2 B10 B6 111.9(4) . . . . ?
C3 C2 B10 B5 152.4(4) . . . . ?
C3 C2 B10 B9 -145.1(4) . . . . ?
C3 C2 B10 B12 -105.1(4) . . . . ?
C4 N2 C5 C6 179.7(4) . . . . ?
C4 N2 C7 Rh1 3.4(5) . . . . ?
C4 N2 C7 N1 -179.4(4) . . . . ?
B4 C1 Rh2 B8 -41.3(2) . . . . ?
B4 C1 Rh2 B7 -90.0(3) . . . . ?
B4 C1 Rh2 B11 -131.8(3) . . . . ?
B4 C1 Rh2 C20 90.6(3) . . . . ?
B4 C1 Rh2 C21 56.1(3) . . . . ?
B4 C1 Rh2 C24 -163.3(4) . . . . ?
B4 C1 Rh2 C25 174.6(3) . . . . ?
B4 C1 B6 C2 63.3(4) . . . . ?
B4 C1 B6 B5 -37.8(3) . . . . ?
B4 C1 B6 B11 103.7(4) . . . . ?
B4 C1 B6 B10 1.1(5) . . . . ?
B4 C1 B5 B6 141.1(4) . . . . ?
B4 C1 B5 B9 39.5(3) . . . . ?
B4 C1 B5 B10 102.4(4) . . . . ?
B4 C1 B11 Rh2 46.3(3) . . . . ?
B4 C1 B11 C2 -68.2(4) . . . . ?
B4 C1 B11 B7 -8.2(5) . . . . ?
B4 C1 B11 B6 -107.4(4) . . . . ?
B4 Rh2 B8 B7 -124.1(3) . . . . ?
B4 Rh2 B8 B9 -25.7(3) . . . . ?
B4 Rh2 B8 B12 -95.6(4) . . . . ?
B4 Rh2 B7 C2 -55.5(3) . . . . ?
B4 Rh2 B7 B8 38.7(2) . . . . ?
B4 Rh2 B7 B12 11.5(3) . . . . ?
B4 Rh2 B7 B11 -83.3(2) . . . . ?
B4 Rh2 B11 C1 -32.7(2) . . . . ?
B4 Rh2 B11 C2 60.4(3) . . . . ?
B4 Rh2 B11 B7 88.3(2) . . . . ?
B4 Rh2 B11 B6 -6.3(3) . . . . ?
B4 Rh2 C20 C21 -80.1(4) . . . . ?
B4 Rh2 C20 C27 158.3(4) . . . . ?
B4 Rh2 C21 C20 102.3(4) . . . . ?
B4 Rh2 C21 C22 -137.3(4) . . . . ?
B4 Rh2 C24 C23 60.3(7) . . . . ?
B4 Rh2 C24 C25 180.0(5) . . . . ?
B4 Rh2 C25 C24 180.0(7) . . . . ?
B4 Rh2 C25 C26 -58.1(10) . . . . ?
B4 B8 B7 Rh2 -51.1(3) . . . . ?
B4 B8 B7 C2 62.5(4) . . . . ?
B4 B8 B7 B12 100.8(3) . . . . ?
B4 B8 B7 B11 2.4(4) . . . . ?
B4 B8 B9 B5 -37.0(3) . . . . ?
B4 B8 B9 B12 -136.2(3) . . . . ?
B4 B8 B9 B10 -100.3(4) . . . . ?
B4 B8 B12 C2 -60.2(4) . . . . ?
B4 B8 B12 B7 -99.4(3) . . . . ?
B4 B8 B12 B9 38.7(3) . . . . ?
B4 B8 B12 B10 2.5(4) . . . . ?
B4 B5 B9 B8 37.4(3) . . . . ?
B4 B5 B9 B12 100.0(4) . . . . ?
B4 B5 B9 B10 138.0(4) . . . . ?
B4 B5 B10 C2 61.2(4) . . . . ?
B4 B5 B10 B6 101.0(4) . . . . ?
B4 B5 B10 B9 -37.9(3) . . . . ?
B4 B5 B10 B12 -0.3(4) . . . . ?
B4 B9 B12 C2 60.7(4) . . . . ?
B4 B9 B12 B8 -39.3(3) . . . . ?
B4 B9 B12 B7 -1.3(4) . . . . ?
B4 B9 B12 B10 100.9(4) . . . . ?
B4 B9 B10 C2 -60.2(4) . . . . ?
B4 B9 B10 B6 0.8(4) . . . . ?
B4 B9 B10 B5 37.5(3) . . . . ?
B4 B9 B10 B12 -100.0(3) . . . . ?
C5 N2 C4 C3 51.0(5) . . . . ?
C5 N2 C7 Rh1 -177.6(3) . . . . ?
C5 N2 C7 N1 -0.4(4) . . . . ?
B8 Rh2 B4 C1 120.2(3) . . . . ?
B8 Rh2 B4 B5 96.2(4) . . . . ?
B8 Rh2 B4 B9 25.7(3) . . . . ?
B8 Rh2 B7 C2 -94.2(3) . . . . ?
B8 Rh2 B7 B12 -27.3(3) . . . . ?
B8 Rh2 B7 B11 -122.1(3) . . . . ?
B8 Rh2 B11 C1 -81.8(2) . . . . ?
B8 Rh2 B11 C2 11.3(3) . . . . ?
B8 Rh2 B11 B7 39.3(2) . . . . ?
B8 Rh2 B11 B6 -55.4(3) . . . . ?
B8 Rh2 C20 C21 -42.4(5) . . . . ?
B8 Rh2 C20 C27 -164.0(4) . . . . ?
B8 Rh2 C21 C20 149.6(4) . . . . ?
B8 Rh2 C21 C22 -90.0(4) . . . . ?
B8 Rh2 C24 C23 93.1(4) . . . . ?
B8 Rh2 C24 C25 -147.2(3) . . . . ?
B8 Rh2 C25 C24 53.8(5) . . . . ?
B8 Rh2 C25 C26 175.6(4) . . . . ?
B8 B4 B5 C1 99.9(4) . . . . ?
B8 B4 B5 B6 65.4(4) . . . . ?
B8 B4 B5 B9 -35.8(3) . . . . ?
B8 B4 B5 B10 1.8(4) . . . . ?
B8 B4 B9 B5 139.1(4) . . . . ?
B8 B4 B9 B12 38.4(3) . . . . ?
B8 B4 B9 B10 101.9(3) . . . . ?
B8 B7 B12 C2 -135.0(3) . . . . ?
B8 B7 B12 B9 -38.3(3) . . . . ?
B8 B7 B12 B10 -102.6(4) . . . . ?
B8 B7 B11 C1 3.3(4) . . . . ?
B8 B7 B11 Rh2 -54.9(2) . . . . ?
B8 B7 B11 C2 95.6(3) . . . . ?
B8 B7 B11 B6 64.0(4) . . . . ?
B8 B9 B12 C2 100.1(3) . . . . ?
B8 B9 B12 B7 38.0(3) . . . . ?
B8 B9 B12 B10 140.2(3) . . . . ?
B8 B9 B10 C2 4.5(4) . . . . ?
B8 B9 B10 B6 65.5(4) . . . . ?
B8 B9 B10 B5 102.2(4) . . . . ?
B8 B9 B10 B12 -35.4(3) . . . . ?
B8 B12 B10 C2 -97.1(3) . . . . ?
B8 B12 B10 B6 -64.4(4) . . . . ?
B8 B12 B10 B5 -1.4(4) . . . . ?
B8 B12 B10 B9 36.7(3) . . . . ?
C6 N1 C7 Rh1 176.8(3) . . . . ?
C6 N1 C7 N2 0.0(4) . . . . ?
C6 N1 C8 C9B 161.7(8) . . . . ?
C6 N1 C8 C10B 47.3(11) . . . . ?
C6 N1 C8 C11B -88.3(8) . . . . ?
C6 N1 C8 C9A -25.4(7) . . . . ?
C6 N1 C8 C10A -148.8(7) . . . . ?
C6 N1 C8 C11A 90.1(6) . . . . ?
B7 Rh2 B4 C1 82.0(2) . . . . ?
B7 Rh2 B4 B8 -38.2(2) . . . . ?
B7 Rh2 B4 B5 58.0(3) . . . . ?
B7 Rh2 B4 B9 -12.6(3) . . . . ?
B7 Rh2 B8 B4 124.1(3) . . . . ?
B7 Rh2 B8 B9 98.4(4) . . . . ?
B7 Rh2 B8 B12 28.5(3) . . . . ?
B7 Rh2 B11 C1 -121.1(3) . . . . ?
B7 Rh2 B11 C2 -27.9(3) . . . . ?
B7 Rh2 B11 B6 -94.6(4) . . . . ?
B7 Rh2 C20 C21 -152(9) . . . . ?
B7 Rh2 C20 C27 86(9) . . . . ?
B7 Rh2 C21 C20 178.9(4) . . . . ?
B7 Rh2 C21 C22 -60.7(5) . . . . ?
B7 Rh2 C24 C23 138.0(4) . . . . ?
B7 Rh2 C24 C25 -102.3(4) . . . . ?
B7 Rh2 C25 C24 82.2(3) . . . . ?
B7 Rh2 C25 C26 -155.9(4) . . . . ?
B7 C2 C3 C4 169.3(3) . . . . ?
B7 C2 B6 C1 2.6(4) . . . . ?
B7 C2 B6 B5 63.3(4) . . . . ?
B7 C2 B6 B11 -36.6(3) . . . . ?
B7 C2 B6 B10 104.6(4) . . . . ?
B7 C2 B12 B8 -39.8(3) . . . . ?
B7 C2 B12 B9 -103.6(3) . . . . ?
B7 C2 B12 B10 -144.2(3) . . . . ?
B7 C2 B11 C1 104.1(3) . . . . ?
B7 C2 B11 Rh2 29.9(3) . . . . ?
B7 C2 B11 B6 143.5(3) . . . . ?
B7 C2 B10 B6 -108.2(4) . . . . ?
B7 C2 B10 B5 -67.7(4) . . . . ?
B7 C2 B10 B9 -5.2(4) . . . . ?
B7 C2 B10 B12 34.8(3) . . . . ?
B7 B8 B9 B4 97.8(4) . . . . ?
B7 B8 B9 B5 60.8(4) . . . . ?
B7 B8 B9 B12 -38.4(3) . . . . ?
B7 B8 B9 B10 -2.5(4) . . . . ?
B7 B8 B12 C2 39.1(3) . . . . ?
B7 B8 B12 B9 138.1(3) . . . . ?
B7 B8 B12 B10 101.8(3) . . . . ?
B7 B12 B10 C2 -32.2(3) . . . . ?
B7 B12 B10 B6 0.4(5) . . . . ?
B7 B12 B10 B5 63.5(4) . . . . ?
B7 B12 B10 B9 101.5(4) . . . . ?
C7 Rh1 C12 C13 53.5(9) . . . . ?
C7 Rh1 C12 C19 176.3(5) . . . . ?
C7 Rh1 C15 C14 -155.2(5) . . . . ?
C7 Rh1 C15 C16 83.7(3) . . . . ?
C7 Rh1 C16 C15 -97.8(3) . . . . ?
C7 Rh1 C16 C17 139.5(3) . . . . ?
C7 Rh1 C19 C12 -176.8(5) . . . . ?
C7 Rh1 C19 C18 -56.0(8) . . . . ?
C7 N1 C6 C5 0.4(5) . . . . ?
C7 N1 C8 C9B -17.5(9) . . . . ?
C7 N1 C8 C10B -131.9(10) . . . . ?
C7 N1 C8 C11B 92.4(9) . . . . ?
C7 N1 C8 C9A 155.3(6) . . . . ?
C7 N1 C8 C10A 32.0(8) . . . . ?
C7 N1 C8 C11A -89.2(6) . . . . ?
C7 N2 C4 C3 -130.1(4) . . . . ?
C7 N2 C5 C6 0.7(5) . . . . ?
B6 C1 Rh2 B4 102.7(4) . . . . ?
B6 C1 Rh2 B8 61.4(3) . . . . ?
B6 C1 Rh2 B7 12.7(3) . . . . ?
B6 C1 Rh2 B11 -29.1(3) . . . . ?
B6 C1 Rh2 C20 -166.7(4) . . . . ?
B6 C1 Rh2 C21 158.8(3) . . . . ?
B6 C1 Rh2 C24 -60.6(6) . . . . ?
B6 C1 Rh2 C25 -82.7(4) . . . . ?
B6 C1 B4 Rh2 -118.2(3) . . . . ?
B6 C1 B4 B8 -61.8(4) . . . . ?
B6 C1 B4 B5 37.6(3) . . . . ?
B6 C1 B4 B9 -0.6(5) . . . . ?
B6 C1 B5 B4 -141.1(4) . . . . ?
B6 C1 B5 B9 -101.6(4) . . . . ?
B6 C1 B5 B10 -38.7(3) . . . . ?
B6 C1 B11 Rh2 153.7(3) . . . . ?
B6 C1 B11 C2 39.2(3) . . . . ?
B6 C1 B11 B7 99.2(3) . . . . ?
B6 C2 C3 C4 22.2(5) . . . . ?
B6 C2 B7 Rh2 6.4(4) . . . . ?
B6 C2 B7 B8 -65.0(4) . . . . ?
B6 C2 B7 B12 -103.1(4) . . . . ?
B6 C2 B7 B11 36.5(3) . . . . ?
B6 C2 B12 B8 69.4(4) . . . . ?
B6 C2 B12 B7 109.3(4) . . . . ?
B6 C2 B12 B9 5.6(4) . . . . ?
B6 C2 B12 B10 -34.9(3) . . . . ?
B6 C2 B11 C1 -39.4(3) . . . . ?
B6 C2 B11 Rh2 -113.6(3) . . . . ?
B6 C2 B11 B7 -143.5(3) . . . . ?
B6 C2 B10 B5 40.5(3) . . . . ?
B6 C2 B10 B9 103.0(4) . . . . ?
B6 C2 B10 B12 143.0(4) . . . . ?
B6 B5 B9 B4 -101.1(4) . . . . ?
B6 B5 B9 B8 -63.7(4) . . . . ?
B6 B5 B9 B12 -1.1(5) . . . . ?
B6 B5 B9 B10 36.9(3) . . . . ?
B6 B5 B10 C2 -39.9(3) . . . . ?
B6 B5 B10 B9 -138.9(3) . . . . ?
B6 B5 B10 B12 -101.4(4) . . . . ?
C8 N1 C6 C5 -178.9(4) . . . . ?
C8 N1 C7 Rh1 -3.9(7) . . . . ?
C8 N1 C7 N2 179.3(4) . . . . ?
B5 C1 Rh2 B4 25.8(3) . . . . ?
B5 C1 Rh2 B8 -15.5(3) . . . . ?
B5 C1 Rh2 B7 -64.2(4) . . . . ?
B5 C1 Rh2 B11 -106.0(4) . . . . ?
B5 C1 Rh2 C20 116.4(4) . . . . ?
B5 C1 Rh2 C21 81.8(4) . . . . ?
B5 C1 Rh2 C24 -137.5(5) . . . . ?
B5 C1 Rh2 C25 -159.7(4) . . . . ?
B5 C1 B4 Rh2 -155.8(3) . . . . ?
B5 C1 B4 B8 -99.4(4) . . . . ?
B5 C1 B4 B9 -38.1(3) . . . . ?
B5 C1 B6 C2 101.1(3) . . . . ?
B5 C1 B6 B11 141.5(3) . . . . ?
B5 C1 B6 B10 38.9(3) . . . . ?
B5 C1 B11 Rh2 115.9(3) . . . . ?
B5 C1 B11 C2 1.4(4) . . . . ?
B5 C1 B11 B7 61.4(4) . . . . ?
B5 C1 B11 B6 -37.8(3) . . . . ?
B5 B4 B8 Rh2 -118.1(3) . . . . ?
B5 B4 B8 B7 -67.0(4) . . . . ?
B5 B4 B8 B9 36.0(3) . . . . ?
B5 B4 B8 B12 -2.6(4) . . . . ?
B5 B4 B9 B8 -139.1(4) . . . . ?
B5 B4 B9 B12 -100.8(4) . . . . ?
B5 B4 B9 B10 -37.2(3) . . . . ?
B5 B6 B11 C1 33.7(3) . . . . ?
B5 B6 B11 Rh2 3.8(5) . . . . ?
B5 B6 B11 C2 -98.8(4) . . . . ?
B5 B6 B11 B7 -66.9(4) . . . . ?
B5 B6 B10 C2 133.0(3) . . . . ?
B5 B6 B10 B9 37.1(3) . . . . ?
B5 B6 B10 B12 100.0(4) . . . . ?
B5 B9 B12 C2 -2.6(4) . . . . ?
B5 B9 B12 B8 -102.6(4) . . . . ?
B5 B9 B12 B7 -64.6(4) . . . . ?
B5 B9 B12 B10 37.6(3) . . . . ?
B5 B9 B10 C2 -97.7(3) . . . . ?
B5 B9 B10 B6 -36.7(3) . . . . ?
B5 B9 B10 B12 -137.5(3) . . . . ?
B9 B4 B8 Rh2 -154.1(3) . . . . ?
B9 B4 B8 B7 -103.1(3) . . . . ?
B9 B4 B8 B12 -38.6(3) . . . . ?
B9 B4 B5 C1 135.8(4) . . . . ?
B9 B4 B5 B6 101.3(4) . . . . ?
B9 B4 B5 B10 37.7(3) . . . . ?
B9 B8 B7 Rh2 -114.2(3) . . . . ?
B9 B8 B7 C2 -0.6(4) . . . . ?
B9 B8 B7 B12 37.6(3) . . . . ?
B9 B8 B7 B11 -60.7(4) . . . . ?
B9 B8 B12 C2 -98.9(3) . . . . ?
B9 B8 B12 B7 -138.1(3) . . . . ?
B9 B8 B12 B10 -36.3(3) . . . . ?
B9 B5 B10 C2 99.1(3) . . . . ?
B9 B5 B10 B6 138.9(3) . . . . ?
B9 B5 B10 B12 37.6(3) . . . . ?
B9 B12 B10 C2 -133.7(3) . . . . ?
B9 B12 B10 B6 -101.0(4) . . . . ?
B9 B12 B10 B5 -38.0(3) . . . . ?
B12 C2 C3 C4 -121.0(4) . . . . ?
B12 C2 B7 Rh2 109.5(3) . . . . ?
B12 C2 B7 B8 38.1(3) . . . . ?
B12 C2 B7 B11 139.6(3) . . . . ?
B12 C2 B6 C1 -67.0(4) . . . . ?
B12 C2 B6 B5 -6.3(4) . . . . ?
B12 C2 B6 B11 -106.2(4) . . . . ?
B12 C2 B6 B10 35.0(3) . . . . ?
B12 C2 B11 C1 65.1(4) . . . . ?
B12 C2 B11 Rh2 -9.0(4) . . . . ?
B12 C2 B11 B7 -39.0(3) . . . . ?
B12 C2 B11 B6 104.6(4) . . . . ?
B12 C2 B10 B6 -143.0(4) . . . . ?
B12 C2 B10 B5 -102.5(4) . . . . ?
B12 C2 B10 B9 -40.0(3) . . . . ?
B12 B8 B7 Rh2 -151.9(3) . . . . ?
B12 B8 B7 C2 -38.2(3) . . . . ?
B12 B8 B7 B11 -98.3(3) . . . . ?
B12 B8 B9 B4 136.2(3) . . . . ?
B12 B8 B9 B5 99.2(4) . . . . ?
B12 B8 B9 B10 35.9(3) . . . . ?
B12 B7 B11 C1 -57.3(4) . . . . ?
B12 B7 B11 Rh2 -115.5(3) . . . . ?
B12 B7 B11 C2 35.0(3) . . . . ?
B12 B7 B11 B6 3.4(4) . . . . ?
B12 B9 B10 C2 39.8(3) . . . . ?
B12 B9 B10 B6 100.8(4) . . . . ?
B12 B9 B10 B5 137.5(3) . . . . ?
B11 C1 Rh2 B4 131.8(3) . . . . ?
B11 C1 Rh2 B8 90.5(2) . . . . ?
B11 C1 Rh2 B7 41.8(2) . . . . ?
B11 C1 Rh2 C20 -137.6(3) . . . . ?
B11 C1 Rh2 C21 -172.1(3) . . . . ?
B11 C1 Rh2 C24 -31.4(5) . . . . ?
B11 C1 Rh2 C25 -53.6(3) . . . . ?
B11 C1 B4 Rh2 -46.6(3) . . . . ?
B11 C1 B4 B8 9.8(5) . . . . ?
B11 C1 B4 B5 109.1(4) . . . . ?
B11 C1 B4 B9 71.0(4) . . . . ?
B11 C1 B6 C2 -40.4(3) . . . . ?
B11 C1 B6 B5 -141.5(3) . . . . ?
B11 C1 B6 B10 -102.7(3) . . . . ?
B11 C1 B5 B4 -102.1(4) . . . . ?
B11 C1 B5 B6 38.9(4) . . . . ?
B11 C1 B5 B9 -62.6(5) . . . . ?
B11 C1 B5 B10 0.3(5) . . . . ?
B11 Rh2 B4 C1 31.6(2) . . . . ?
B11 Rh2 B4 B8 -88.6(2) . . . . ?
B11 Rh2 B4 B5 7.6(3) . . . . ?
B11 Rh2 B4 B9 -62.9(3) . . . . ?
B11 Rh2 B8 B4 83.3(2) . . . . ?
B11 Rh2 B8 B7 -40.8(2) . . . . ?
B11 Rh2 B8 B9 57.7(3) . . . . ?
B11 Rh2 B8 B12 -12.2(3) . . . . ?
B11 Rh2 B7 C2 27.8(3) . . . . ?
B11 Rh2 B7 B8 122.1(3) . . . . ?
B11 Rh2 B7 B12 94.8(3) . . . . ?
B11 Rh2 C20 C21 -163.0(3) . . . . ?
B11 Rh2 C20 C27 75.3(5) . . . . ?
B11 Rh2 C21 C20 47.9(8) . . . . ?
B11 Rh2 C21 C22 168.3(5) . . . . ?
B11 Rh2 C24 C23 -175.1(3) . . . . ?
B11 Rh2 C24 C25 -55.4(4) . . . . ?
B11 Rh2 C25 C24 131.3(3) . . . . ?
B11 Rh2 C25 C26 -106.9(4) . . . . ?
B11 C2 C3 C4 97.3(4) . . . . ?
B11 C2 B7 Rh2 -30.1(3) . . . . ?
B11 C2 B7 B8 -101.5(3) . . . . ?
B11 C2 B7 B12 -139.6(3) . . . . ?
B11 C2 B6 C1 39.2(3) . . . . ?
B11 C2 B6 B5 99.9(4) . . . . ?
B11 C2 B6 B10 141.2(4) . . . . ?
B11 C2 B12 B8 -0.4(4) . . . . ?
B11 C2 B12 B7 39.5(3) . . . . ?
B11 C2 B12 B9 -64.2(4) . . . . ?
B11 C2 B12 B10 -104.7(4) . . . . ?
B11 C2 B10 B6 -37.6(3) . . . . ?
B11 C2 B10 B5 2.8(4) . . . . ?
B11 C2 B10 B9 65.4(4) . . . . ?
B11 C2 B10 B12 105.4(4) . . . . ?
B11 B7 B12 C2 -34.8(3) . . . . ?
B11 B7 B12 B8 100.2(3) . . . . ?
B11 B7 B12 B9 61.8(4) . . . . ?
B11 B7 B12 B10 -2.4(4) . . . . ?
B11 B6 B5 C1 -32.9(3) . . . . ?
B11 B6 B5 B4 2.0(4) . . . . ?
B11 B6 B5 B9 66.3(4) . . . . ?
B11 B6 B5 B10 103.2(4) . . . . ?
B11 B6 B10 C2 34.8(3) . . . . ?
B11 B6 B10 B5 -98.2(4) . . . . ?
B11 B6 B10 B9 -61.2(4) . . . . ?
B11 B6 B10 B12 1.8(5) . . . . ?
C12 Rh1 C7 N1 7.8(9) . . . . ?
C12 Rh1 C7 N2 -175.8(5) . . . . ?
C12 Rh1 C15 C14 8.3(5) . . . . ?
C12 Rh1 C15 C16 -112.7(4) . . . . ?
C12 Rh1 C16 C15 66.9(4) . . . . ?
C12 Rh1 C16 C17 -55.8(4) . . . . ?
C12 Rh1 C19 C18 120.8(6) . . . . ?
C12 C13 C14 C15 -31.0(9) . . . . ?
B10 C2 C3 C4 -50.5(5) . . . . ?
B10 C2 B7 Rh2 75.2(4) . . . . ?
B10 C2 B7 B8 3.7(4) . . . . ?
B10 C2 B7 B12 -34.4(3) . . . . ?
B10 C2 B7 B11 105.2(4) . . . . ?
B10 C2 B6 C1 -101.9(4) . . . . ?
B10 C2 B6 B5 -41.3(3) . . . . ?
B10 C2 B6 B11 -141.2(4) . . . . ?
B10 C2 B12 B8 104.3(4) . . . . ?
B10 C2 B12 B7 144.2(3) . . . . ?
B10 C2 B12 B9 40.5(3) . . . . ?
B10 C2 B11 C1 -2.6(4) . . . . ?
B10 C2 B11 Rh2 -76.8(4) . . . . ?
B10 C2 B11 B7 -106.7(4) . . . . ?
B10 C2 B11 B6 36.8(3) . . . . ?
B10 B6 B5 C1 -136.1(3) . . . . ?
B10 B6 B5 B4 -101.1(4) . . . . ?
B10 B6 B5 B9 -36.9(3) . . . . ?
B10 B6 B11 C1 97.3(4) . . . . ?
B10 B6 B11 Rh2 67.4(4) . . . . ?
B10 B6 B11 C2 -35.2(3) . . . . ?
B10 B6 B11 B7 -3.3(5) . . . . ?
B10 B5 B9 B4 -138.0(4) . . . . ?
B10 B5 B9 B8 -100.6(4) . . . . ?
B10 B5 B9 B12 -38.0(3) . . . . ?
B10 B9 B12 C2 -40.2(3) . . . . ?
B10 B9 B12 B8 -140.2(3) . . . . ?
B10 B9 B12 B7 -102.2(3) . . . . ?
C13 C12 C19 Rh1 99.9(6) . . . . ?
C13 C12 C19 C18 -4.4(9) . . . . ?
C13 C14 C15 Rh1 9.3(8) . . . . ?
C13 C14 C15 C16 92.0(7) . . . . ?
C14 C15 C16 Rh1 -106.2(5) . . . . ?
C14 C15 C16 C17 -5.4(8) . . . . ?
C15 Rh1 C7 N1 83.7(4) . . . . ?
C15 Rh1 C7 N2 -100.0(4) . . . . ?
C15 Rh1 C12 C13 -24.2(5) . . . . ?
C15 Rh1 C12 C19 98.6(4) . . . . ?
C15 Rh1 C16 C17 -122.7(5) . . . . ?
C15 Rh1 C19 C12 -78.1(3) . . . . ?
C15 Rh1 C19 C18 42.7(5) . . . . ?
C15 C16 C17 C18 -39.2(7) . . . . ?
C16 Rh1 C7 N1 122.3(4) . . . . ?
C16 Rh1 C7 N2 -61.4(4) . . . . ?
C16 Rh1 C12 C13 -59.9(5) . . . . ?
C16 Rh1 C12 C19 62.9(3) . . . . ?
C16 Rh1 C15 C14 121.0(6) . . . . ?
C16 Rh1 C19 C12 -116.4(3) . . . . ?
C16 Rh1 C19 C18 4.4(4) . . . . ?
C16 C17 C18 C19 -37.1(7) . . . . ?
C17 C18 C19 Rh1 15.8(7) . . . . ?
C17 C18 C19 C12 97.8(7) . . . . ?
C19 Rh1 C7 N1 -178.7(5) . . . . ?
C19 Rh1 C7 N2 -2.4(7) . . . . ?
C19 Rh1 C12 C13 -122.8(6) . . . . ?
C19 Rh1 C15 C14 43.8(5) . . . . ?
C19 Rh1 C15 C16 -77.3(3) . . . . ?
C19 Rh1 C16 C15 98.8(3) . . . . ?
C19 Rh1 C16 C17 -23.9(4) . . . . ?
C19 C12 C13 C14 -44.9(9) . . . . ?
C20 Rh2 B4 C1 -96.7(3) . . . . ?
C20 Rh2 B4 B8 143.2(3) . . . . ?
C20 Rh2 B4 B5 -120.6(4) . . . . ?
C20 Rh2 B4 B9 168.8(4) . . . . ?
C20 Rh2 B8 B4 -54.1(3) . . . . ?
C20 Rh2 B8 B7 -178.2(3) . . . . ?
C20 Rh2 B8 B9 -79.8(4) . . . . ?
C20 Rh2 B8 B12 -149.7(3) . . . . ?
C20 Rh2 B7 C2 17(9) . . . . ?
C20 Rh2 B7 B8 111(9) . . . . ?
C20 Rh2 B7 B12 84(9) . . . . ?
C20 Rh2 B7 B11 -11(9) . . . . ?
C20 Rh2 B11 C1 58.6(4) . . . . ?
C20 Rh2 B11 C2 151.7(3) . . . . ?
C20 Rh2 B11 B7 179.7(3) . . . . ?
C20 Rh2 B11 B6 85.0(4) . . . . ?
C20 Rh2 C21 C22 120.4(6) . . . . ?
C20 Rh2 C24 C23 -43.1(4) . . . . ?
C20 Rh2 C24 C25 76.6(4) . . . . ?
C20 Rh2 C25 C24 -99.2(4) . . . . ?
C20 Rh2 C25 C26 22.7(4) . . . . ?
C20 C21 C22 C23 45.2(7) . . . . ?
C21 Rh2 B4 C1 -133.8(3) . . . . ?
C21 Rh2 B4 B8 106.1(2) . . . . ?
C21 Rh2 B4 B5 -157.7(4) . . . . ?
C21 Rh2 B4 B9 131.7(4) . . . . ?
C21 Rh2 B8 B4 -79.0(3) . . . . ?
C21 Rh2 B8 B7 156.9(2) . . . . ?
C21 Rh2 B8 B9 -104.7(3) . . . . ?
C21 Rh2 B8 B12 -174.6(3) . . . . ?
C21 Rh2 B7 C2 -134.5(3) . . . . ?
C21 Rh2 B7 B8 -40.3(4) . . . . ?
C21 Rh2 B7 B12 -67.6(4) . . . . ?
C21 Rh2 B7 B11 -162.4(3) . . . . ?
C21 Rh2 B11 C1 22.9(7) . . . . ?
C21 Rh2 B11 C2 116.1(6) . . . . ?
C21 Rh2 B11 B7 144.0(6) . . . . ?
C21 Rh2 B11 B6 49.4(8) . . . . ?
C21 Rh2 C20 C27 -121.6(6) . . . . ?
C21 Rh2 C24 C23 -5.8(4) . . . . ?
C21 Rh2 C24 C25 113.9(4) . . . . ?
C21 Rh2 C25 C24 -65.3(4) . . . . ?
C21 Rh2 C25 C26 56.6(4) . . . . ?
C21 C20 C27 C26 -92.6(8) . . . . ?
C21 C22 C23 C24 30.6(6) . . . . ?
C22 C23 C24 Rh2 -11.4(6) . . . . ?
C22 C23 C24 C25 -94.8(6) . . . . ?
C23 C24 C25 Rh2 107.5(5) . . . . ?
C23 C24 C25 C26 3.2(9) . . . . ?
C24 Rh2 B4 C1 161.8(5) . . . . ?
C24 Rh2 B4 B8 41.6(6) . . . . ?
C24 Rh2 B4 B5 137.9(5) . . . . ?
C24 Rh2 B4 B9 67.3(6) . . . . ?
C24 Rh2 B8 B4 -163.8(2) . . . . ?
C24 Rh2 B8 B7 72.1(2) . . . . ?
C24 Rh2 B8 B9 170.6(3) . . . . ?
C24 Rh2 B8 B12 100.7(3) . . . . ?
C24 Rh2 B7 C2 146.9(3) . . . . ?
C24 Rh2 B7 B8 -118.8(2) . . . . ?
C24 Rh2 B7 B12 -146.1(3) . . . . ?
C24 Rh2 B7 B11 119.1(2) . . . . ?
C24 Rh2 B11 C1 166.1(2) . . . . ?
C24 Rh2 B11 C2 -100.7(3) . . . . ?
C24 Rh2 B11 B7 -72.8(3) . . . . ?
C24 Rh2 B11 B6 -167.4(3) . . . . ?
C24 Rh2 C20 C21 77.6(4) . . . . ?
C24 Rh2 C20 C27 -44.0(4) . . . . ?
C24 Rh2 C21 C20 -98.4(4) . . . . ?
C24 Rh2 C21 C22 22.0(4) . . . . ?
C24 Rh2 C25 C26 121.9(6) . . . . ?
C24 C25 C26 C27 47.0(9) . . . . ?
C25 Rh2 B4 C1 -18.2(9) . . . . ?
C25 Rh2 B4 B8 -138.4(8) . . . . ?
C25 Rh2 B4 B5 -42.1(10) . . . . ?
C25 Rh2 B4 B9 -112.7(8) . . . . ?
C25 Rh2 B8 B4 163.5(3) . . . . ?
C25 Rh2 B8 B7 39.4(4) . . . . ?
C25 Rh2 B8 B9 137.8(3) . . . . ?
C25 Rh2 B8 B12 67.9(4) . . . . ?
C25 Rh2 B7 C2 109.2(3) . . . . ?
C25 Rh2 B7 B8 -156.6(2) . . . . ?
C25 Rh2 B7 B12 176.1(3) . . . . ?
C25 Rh2 B7 B11 81.4(2) . . . . ?
C25 Rh2 B11 C1 135.6(3) . . . . ?
C25 Rh2 B11 C2 -131.2(3) . . . . ?
C25 Rh2 B11 B7 -103.3(3) . . . . ?
C25 Rh2 B11 B6 162.1(4) . . . . ?
C25 Rh2 C20 C21 115.1(4) . . . . ?
C25 Rh2 C20 C27 -6.5(4) . . . . ?
C25 Rh2 C21 C20 -63.8(4) . . . . ?
C25 Rh2 C21 C22 56.6(4) . . . . ?
C25 Rh2 C24 C23 -119.7(6) . . . . ?
C25 C26 C27 C20 29.1(8) . . . . ?
C27 C20 C21 Rh2 104.6(6) . . . . ?
C27 C20 C21 C22 2.6(9) . . . . ?
C29 O1 C29 C30 96(100) 2_856 . . . ?
C29 O1 C28 C31 4(2) . . . . ?
C29 O1 C28 C31 -176(2) 2_856 . . . ?
C28 O1 C29 C30 176.8(16) 2_856 . . . ?
C28 O1 C29 C30 -3.2(16) . . . . ?
C28 O1 C28 C31 19(27) 2_856 . . . ?

loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-2 10 17 0.1008 -1.9990 10.0001 17.0063 0.4024 -0.8785 0.1284
14 5 11 0.2364 14.0000 5.0011 11.0015 -0.2775 -0.4358 -0.8813
-13 3 3 0.1737 -12.9993 2.9991 3.0032 0.5171 -0.2648 0.8200
-7 -10 -19 0.1584 -7.0007 -10.0007 -19.0054 -0.1052 0.8993 0.4370
-14 -1 6 0.1856 -13.9995 -1.0005 6.0018 0.2112 -0.3774 0.9200
5 -9 8 0.1427 4.9992 -8.9987 7.9961 -0.9205 -0.2535 -0.2318
-2 -10 11 0.1455 -2.0006 -9.9990 10.9968 -0.8492 -0.4380 0.2313
-11 -7 11 0.1678 -11.0000 -6.9997 10.9992 -0.3862 -0.5337 0.7854
2 -9 -19 0.0717 1.9991 -9.0002 -19.0060 -0.2938 0.9620 -0.1422
7 -3 -17 0.1205 6.9994 -3.0002 -17.0038 -0.0652 0.8601 -0.4906
-8 -15 -12 0.1792 -8.0010 -15.0001 -12.0068 -0.5598 0.6115 0.5583
-2 9 -10 0.1017 -1.9993 8.9988 -9.9966 0.8748 0.3689 0.0334
-7 5 -13 0.1242 -6.9995 4.9986 -12.9981 0.8035 0.5002 0.3655
-11 -14 -3 0.1970 -11.0007 -14.0000 -3.0052 -0.5858 0.1666 0.7768
12 14 4 0.2053 12.0007 14.0001 4.0052 0.5372 -0.2046 -0.8367
8 15 -1 0.1808 8.0008 14.9995 -0.9944 0.8203 -0.0149 -0.6071
-7 8 13 0.1226 -6.9990 7.9997 13.0056 0.4883 -0.7178 0.4442
2 11 19 0.1342 2.0009 11.0004 19.0064 0.3166 -0.9470 -0.1250
-1 0 -20 0.0639 -1.0001 -0.0010 -20.0017 0.4293 0.9100 -0.0114
5 0 19 0.1256 5.0000 0.0012 19.0011 -0.5236 -0.8326 -0.2470
-1 0 20 0.1116 -0.9998 0.0009 20.0020 -0.3722 -0.9257 0.1387
-8 0 16 0.1234 -7.9996 0.0003 16.0024 -0.0920 -0.7973 0.5693
5 -12 -5 0.1265 4.9989 -11.9992 -5.0064 -0.8658 0.3679 -0.2618
-5 -15 1 0.1671 -5.0010 -14.9993 0.9940 -0.9060 0.0385 0.4161
2 0 -20 0.0485 1.9998 -0.0008 -20.0021 0.3436 0.9336 -0.2024
0 -2 -20 0.0510 -0.0003 -2.0008 -20.0027 0.2636 0.9343 -0.0625

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Complex-5
_database_code_depnum_ccdc_archive 'CCDC 1444077'
_audit_update_record             
;
2015-12-23 deposited with the CCDC.
2016-04-12 downloaded from the CCDC.
;
_audit_creation_date             2015-09-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C19 H38 B10 Cl N2 Rh'
_chemical_formula_sum            'C19 H38 B10 Cl N2 Rh'
_chemical_formula_weight         540.97
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C76 H152 B40 Cl4 N8 Rh4'
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'
B B 0.0013 0.0007 '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'
N N 0.0061 0.0033 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x, -y-1/2, z-1/2'

_cell_length_a                   12.3894(4)
_cell_length_b                   15.3629(5)
_cell_length_c                   13.6908(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.441(3)
_cell_angle_gamma                90.00
_cell_volume                     2601.17(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5817
_cell_measurement_temperature    290.87(10)
_cell_measurement_theta_max      29.5270
_cell_measurement_theta_min      3.4210
_exptl_absorpt_coefficient_mu    0.771
_exptl_absorpt_correction_T_max  0.975
_exptl_absorpt_correction_T_min  0.923
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.381
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1112
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0595
_diffrn_reflns_av_unetI/netI     0.0762
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            22805
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         31.21
_diffrn_reflns_theta_min         3.12
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      290.87(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.3095
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.889
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -16.00   36.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -       12.9509   19.0000  120.0000 52

#__ type_ start__ end____ width___ exp.time_
  2 omega   46.00   73.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -       12.9509   19.0000  120.0000 27

#__ type_ start__ end____ width___ exp.time_
  3 omega   27.00   64.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -       12.9509   37.0000 -150.0000 37

#__ type_ start__ end____ width___ exp.time_
  4 omega  -49.00  -22.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -       12.9509  -37.0000   90.0000 27

#__ type_ start__ end____ width___ exp.time_
  5 omega  -36.00   38.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -       12.9509  -57.0000  -60.0000 74

#__ type_ start__ end____ width___ exp.time_
  6 omega    4.00   81.00   1.0000   30.0000
omega____ theta____ kappa____ phi______ frames
    -       12.9509   57.0000  120.0000 77
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0561485000
_diffrn_orient_matrix_UB_12      -0.0086420000
_diffrn_orient_matrix_UB_13      0.0064590000
_diffrn_orient_matrix_UB_21      0.0051316000
_diffrn_orient_matrix_UB_22      0.0328402000
_diffrn_orient_matrix_UB_23      0.0364071000
_diffrn_orient_matrix_UB_31      -0.0101443000
_diffrn_orient_matrix_UB_32      -0.0313087000
_diffrn_orient_matrix_UB_33      0.0364792000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                5567
_reflns_number_total             7491
_reflns_odcompleteness_completeness 99.78
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         1.639
_refine_diff_density_min         -0.825
_refine_diff_density_rms         0.125
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     301
_refine_ls_number_reflns         7491
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0811
_refine_ls_R_factor_gt           0.0537
_refine_ls_restrained_S_all      1.048
_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)+(0.0483P)²+4.4070P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1173
_refine_ls_wR_factor_ref         0.1305
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C12(H12), C16(H16), C15(H15), C19(H19)
2.b Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C17(H17A,H17B), C4(H4A,H4B), C13(H13A,H13B), C18(H18A,H18B),
 C14(H14A,H14B)
2.c Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6)
2.d Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C11(H11A,H11B,H11C), C10(H10A,H10B,H10C)
2.e Boron cage BH refined with riding coordinates:
 C1(H1), B10(H10), B8(H8), B9(H9), B4(H4), B5(H5A), B6(H6A), B3(H3), B7(H7),
 B12(H12A), B11(H11)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
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_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
Rh1 Rh 0.09084(2) 0.549463(17) 0.741726(19) 0.01730(9) Uani 1 d . . .
Cl1 Cl 0.09852(6) 0.69256(5) 0.66470(5) 0.01404(16) Uani 1 d . . .
C1 C 0.3512(3) 0.7630(3) 1.0540(3) 0.0291(9) Uani 1 d . . .
H1 H 0.2995 0.7681 1.1164 0.035 Uiso 1 calc . . R
C9 C -0.2567(7) 0.6647(4) 0.7038(6) 0.110(3) Uani 1 d . . .
H9A H -0.2938 0.6936 0.7541 0.165 Uiso 1 calc . . GR
H9B H -0.3074 0.6498 0.6507 0.165 Uiso 1 calc . . GR
H9C H -0.2022 0.7026 0.6806 0.165 Uiso 1 calc . . GR
C12 C 0.1562(3) 0.4881(3) 0.6144(3) 0.0246(8) Uani 1 d . . .
H12 H 0.1526 0.5247 0.5557 0.030 Uiso 1 calc . . R
C16 C 0.1362(3) 0.4527(2) 0.8442(3) 0.0238(8) Uani 1 d . . .
H16 H 0.1099 0.4631 0.9092 0.029 Uiso 1 calc . . R
B10 B 0.4988(4) 0.6655(4) 0.9607(4) 0.0380(12) Uani 1 d . . .
H10 H 0.5489 0.6066 0.9569 0.046 Uiso 1 calc . . R
N2 N 0.0153(2) 0.6398(2) 0.9205(2) 0.0207(6) Uani 1 d . . .
N1 N -0.1253(2) 0.6103(2) 0.8268(2) 0.0209(6) Uani 1 d . . .
C11 C -0.1511(4) 0.5391(5) 0.6626(4) 0.0609(18) Uani 1 d . . .
H11A H -0.2038 0.5290 0.6095 0.091 Uiso 1 calc . . GR
H11B H -0.1208 0.4845 0.6847 0.091 Uiso 1 calc . . GR
H11C H -0.0947 0.5758 0.6406 0.091 Uiso 1 calc . . GR
C15 C 0.0572(3) 0.4184(2) 0.7767(3) 0.0245(8) Uani 1 d . . .
H15 H -0.0135 0.4099 0.8038 0.029 Uiso 1 calc . . R
C3 C 0.1744(3) 0.7367(2) 0.9267(3) 0.0227(8) Uani 1 d . . .
H3A H 0.1550 0.7463 0.8578 0.027 Uiso 1 calc . . R
H3B H 0.1414 0.7827 0.9632 0.027 Uiso 1 calc . . R
B8 B 0.4757(4) 0.8500(4) 0.9269(4) 0.0413(13) Uani 1 d . . .
H8 H 0.5107 0.9112 0.9017 0.050 Uiso 1 calc . . R
C2 C 0.2965(3) 0.7437(2) 0.9431(3) 0.0230(8) Uani 1 d . . .
C10 C -0.2865(6) 0.5249(5) 0.7844(5) 0.098(3) Uani 1 d . . .
H10A H -0.3265 0.5563 0.8309 0.147 Uiso 1 calc . . GR
H10B H -0.2515 0.4758 0.8160 0.147 Uiso 1 calc . . GR
H10C H -0.3351 0.5049 0.7318 0.147 Uiso 1 calc . . GR
C19 C 0.2419(3) 0.5069(2) 0.6794(3) 0.0233(8) Uani 1 d . . .
H19 H 0.2875 0.5548 0.6587 0.028 Uiso 1 calc . . R
C17 C 0.2560(3) 0.4333(3) 0.8454(3) 0.0280(9) Uani 1 d . . .
H17A H 0.2689 0.3750 0.8709 0.034 Uiso 1 calc . . R
H17B H 0.2944 0.4738 0.8893 0.034 Uiso 1 calc . . R
B9 B 0.5557(4) 0.7680(4) 0.9893(4) 0.0445(14) Uani 1 d . . .
H9 H 0.6433 0.7761 1.0042 0.053 Uiso 1 calc . . R
C5 C -0.0723(3) 0.6733(2) 0.9655(3) 0.0255(8) Uani 1 d . . .
H5 H -0.0707 0.7031 1.0247 0.031 Uiso 1 calc . . R
C7 C -0.0160(3) 0.6003(2) 0.8336(2) 0.0186(7) Uani 1 d . . .
B4 B 0.4603(4) 0.8292(4) 1.0525(4) 0.0413(13) Uani 1 d . . .
H4 H 0.4843 0.8768 1.1098 0.050 Uiso 1 calc . . R
B5 B 0.4752(4) 0.7159(4) 1.0735(3) 0.0363(12) Uani 1 d . . .
H5A H 0.5088 0.6905 1.1441 0.044 Uiso 1 calc . . R
C8 C -0.2041(3) 0.5827(3) 0.7450(3) 0.0261(8) Uani 1 d . . .
C4 C 0.1277(3) 0.6499(2) 0.9568(3) 0.0242(8) Uani 1 d . . .
H4A H 0.1704 0.6031 0.9316 0.029 Uiso 1 calc . . R
H4B H 0.1321 0.6458 1.0276 0.029 Uiso 1 calc . . R
C6 C -0.1597(3) 0.6545(2) 0.9077(3) 0.0263(8) Uani 1 d . . .
H6 H -0.2308 0.6685 0.9195 0.032 Uiso 1 calc . . R
C13 C 0.1036(4) 0.3997(3) 0.5994(3) 0.0305(9) Uani 1 d . . .
H13A H 0.1504 0.3629 0.5628 0.037 Uiso 1 calc . . R
H13B H 0.0360 0.4067 0.5608 0.037 Uiso 1 calc . . R
C18 C 0.3017(3) 0.4399(3) 0.7436(3) 0.0290(9) Uani 1 d . . .
H18A H 0.3776 0.4556 0.7510 0.035 Uiso 1 calc . . R
H18B H 0.2964 0.3835 0.7118 0.035 Uiso 1 calc . . R
B6 B 0.3688(4) 0.6621(3) 1.0062(3) 0.0313(10) Uani 1 d . . .
H6A H 0.3327 0.6019 1.0332 0.038 Uiso 1 calc . . R
C14 C 0.0812(3) 0.3543(3) 0.6967(3) 0.0292(9) Uani 1 d . . .
H14A H 0.0201 0.3152 0.6859 0.035 Uiso 1 calc . . R
H14B H 0.1436 0.3195 0.7181 0.035 Uiso 1 calc . . R
B3 B 0.3450(4) 0.8462(3) 0.9708(4) 0.0320(10) Uani 1 d . . .
H3 H 0.2935 0.9043 0.9748 0.038 Uiso 1 calc . . R
B7 B 0.3690(4) 0.7952(3) 0.8589(4) 0.0342(11) Uani 1 d . . .
H7 H 0.3338 0.8207 0.7889 0.041 Uiso 1 calc . . R
B12 B 0.4999(4) 0.7476(4) 0.8695(4) 0.0407(13) Uani 1 d . . .
H12A H 0.5508 0.7424 0.8067 0.049 Uiso 1 calc . . R
B11 B 0.3826(4) 0.6820(3) 0.8796(3) 0.0312(11) Uani 1 d . . .
H11 H 0.3559 0.6341 0.8236 0.037 Uiso 1 calc . . R


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
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 Cl1 2.4425(8) . ?
Rh1 C12 2.181(3) . ?
Rh1 C16 2.097(4) . ?
Rh1 C15 2.117(4) . ?
Rh1 C19 2.202(3) . ?
Rh1 C7 2.036(3) . ?
C1 H1 1.1000 . ?
C1 C2 1.653(5) . ?
C1 B4 1.693(7) . ?
C1 B5 1.704(6) . ?
C1 B6 1.702(6) . ?
C1 B3 1.711(7) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C9 C8 1.510(7) . ?
C12 H12 0.9800 . ?
C12 C19 1.375(6) . ?
C12 C13 1.514(6) . ?
C16 H16 0.9800 . ?
C16 C15 1.407(6) . ?
C16 C17 1.513(6) . ?
B10 H10 1.1000 . ?
B10 B9 1.760(9) . ?
B10 B5 1.768(7) . ?
B10 B6 1.763(7) . ?
B10 B12 1.775(8) . ?
B10 B11 1.783(7) . ?
N2 C5 1.379(5) . ?
N2 C7 1.370(4) . ?
N2 C4 1.458(5) . ?
N1 C7 1.360(5) . ?
N1 C8 1.502(5) . ?
N1 C6 1.389(5) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C11 C8 1.498(6) . ?
C15 H15 0.9800 . ?
C15 C14 1.516(5) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 C2 1.519(5) . ?
C3 C4 1.521(5) . ?
B8 H8 1.1000 . ?
B8 B9 1.788(9) . ?
B8 B4 1.771(8) . ?
B8 B3 1.762(7) . ?
B8 B7 1.781(8) . ?
B8 B12 1.791(8) . ?
C2 B6 1.741(6) . ?
C2 B3 1.719(6) . ?
C2 B7 1.700(6) . ?
C2 B11 1.705(6) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C10 C8 1.480(7) . ?
C19 H19 0.9800 . ?
C19 C18 1.518(5) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 C18 1.539(6) . ?
B9 H9 1.1000 . ?
B9 B4 1.775(7) . ?
B9 B5 1.762(8) . ?
B9 B12 1.768(8) . ?
C5 H5 0.9300 . ?
C5 C6 1.334(6) . ?
B4 H4 1.1000 . ?
B4 B5 1.772(9) . ?
B4 B3 1.781(8) . ?
B5 H5A 1.1000 . ?
B5 B6 1.768(7) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C6 H6 0.9300 . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 C14 1.544(5) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
B6 H6A 1.1000 . ?
B6 B11 1.778(6) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
B3 H3 1.1000 . ?
B3 B7 1.762(7) . ?
B7 H7 1.1000 . ?
B7 B12 1.777(7) . ?
B7 B11 1.769(7) . ?
B12 H12A 1.1000 . ?
B12 B11 1.781(8) . ?
B11 H11 1.1000 . ?

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
C12 Rh1 Cl1 91.04(10) . . ?
C12 Rh1 C19 36.56(15) . . ?
C16 Rh1 Cl1 155.64(11) . . ?
C16 Rh1 C12 97.50(15) . . ?
C16 Rh1 C15 38.99(15) . . ?
C16 Rh1 C19 81.30(14) . . ?
C15 Rh1 Cl1 165.26(11) . . ?
C15 Rh1 C12 81.80(15) . . ?
C15 Rh1 C19 89.37(14) . . ?
C19 Rh1 Cl1 92.51(10) . . ?
C7 Rh1 Cl1 87.99(10) . . ?
C7 Rh1 C12 161.19(15) . . ?
C7 Rh1 C16 90.98(14) . . ?
C7 Rh1 C15 94.65(14) . . ?
C7 Rh1 C19 162.26(15) . . ?
C2 C1 H1 119.9 . . ?
C2 C1 B4 112.4(3) . . ?
C2 C1 B5 112.6(3) . . ?
C2 C1 B6 62.5(2) . . ?
C2 C1 B3 61.4(3) . . ?
B4 C1 H1 118.0 . . ?
B4 C1 B5 62.9(3) . . ?
B4 C1 B6 115.0(3) . . ?
B4 C1 B3 63.1(3) . . ?
B5 C1 H1 118.1 . . ?
B5 C1 B3 115.2(3) . . ?
B6 C1 H1 117.2 . . ?
B6 C1 B5 62.5(3) . . ?
B6 C1 B3 115.2(3) . . ?
B3 C1 H1 117.3 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
Rh1 C12 H12 113.9 . . ?
C19 C12 Rh1 72.6(2) . . ?
C19 C12 H12 113.9 . . ?
C19 C12 C13 125.9(4) . . ?
C13 C12 Rh1 108.5(2) . . ?
C13 C12 H12 113.9 . . ?
Rh1 C16 H16 113.7 . . ?
C15 C16 Rh1 71.3(2) . . ?
C15 C16 H16 113.7 . . ?
C15 C16 C17 125.3(3) . . ?
C17 C16 Rh1 111.7(3) . . ?
C17 C16 H16 113.7 . . ?
B9 B10 H10 121.8 . . ?
B9 B10 B5 59.9(3) . . ?
B9 B10 B6 108.1(4) . . ?
B9 B10 B12 60.0(3) . . ?
B9 B10 B11 108.0(4) . . ?
B5 B10 H10 121.7 . . ?
B5 B10 B12 108.1(4) . . ?
B5 B10 B11 108.2(3) . . ?
B6 B10 H10 121.5 . . ?
B6 B10 B5 60.1(3) . . ?
B6 B10 B12 108.4(3) . . ?
B6 B10 B11 60.2(3) . . ?
B12 B10 H10 121.5 . . ?
B12 B10 B11 60.1(3) . . ?
B11 B10 H10 121.6 . . ?
C5 N2 C4 124.6(3) . . ?
C7 N2 C5 111.3(3) . . ?
C7 N2 C4 123.9(3) . . ?
C7 N1 C8 128.3(3) . . ?
C7 N1 C6 110.6(3) . . ?
C6 N1 C8 121.0(3) . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
Rh1 C15 H15 113.9 . . ?
C16 C15 Rh1 69.7(2) . . ?
C16 C15 H15 113.9 . . ?
C16 C15 C14 124.0(4) . . ?
C14 C15 Rh1 113.9(2) . . ?
C14 C15 H15 113.9 . . ?
H3A C3 H3B 107.6 . . ?
C2 C3 H3A 108.6 . . ?
C2 C3 H3B 108.6 . . ?
C2 C3 C4 114.5(3) . . ?
C4 C3 H3A 108.6 . . ?
C4 C3 H3B 108.6 . . ?
B9 B8 H8 122.3 . . ?
B9 B8 B12 59.2(3) . . ?
B4 B8 H8 121.7 . . ?
B4 B8 B9 59.8(3) . . ?
B4 B8 B7 107.6(4) . . ?
B4 B8 B12 107.3(4) . . ?
B3 B8 H8 121.6 . . ?
B3 B8 B9 107.9(4) . . ?
B3 B8 B4 60.5(3) . . ?
B3 B8 B7 59.6(3) . . ?
B3 B8 B12 107.6(4) . . ?
B7 B8 H8 122.3 . . ?
B7 B8 B9 106.8(4) . . ?
B7 B8 B12 59.7(3) . . ?
B12 B8 H8 122.3 . . ?
C1 C2 B6 60.1(3) . . ?
C1 C2 B3 61.0(3) . . ?
C1 C2 B7 109.6(3) . . ?
C1 C2 B11 109.4(3) . . ?
C3 C2 C1 119.9(3) . . ?
C3 C2 B6 120.0(3) . . ?
C3 C2 B3 115.4(3) . . ?
C3 C2 B7 119.7(3) . . ?
C3 C2 B11 122.2(3) . . ?
B3 C2 B6 112.8(3) . . ?
B7 C2 B6 113.2(3) . . ?
B7 C2 B3 62.0(3) . . ?
B7 C2 B11 62.6(3) . . ?
B11 C2 B6 62.1(3) . . ?
B11 C2 B3 113.6(3) . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
Rh1 C19 H19 114.0 . . ?
C12 C19 Rh1 70.9(2) . . ?
C12 C19 H19 114.0 . . ?
C12 C19 C18 124.3(4) . . ?
C18 C19 Rh1 111.9(2) . . ?
C18 C19 H19 114.0 . . ?
C16 C17 H17A 109.0 . . ?
C16 C17 H17B 109.0 . . ?
C16 C17 C18 113.0(3) . . ?
H17A C17 H17B 107.8 . . ?
C18 C17 H17A 109.0 . . ?
C18 C17 H17B 109.0 . . ?
B10 B9 B8 108.8(4) . . ?
B10 B9 H9 121.3 . . ?
B10 B9 B4 108.3(4) . . ?
B10 B9 B5 60.3(3) . . ?
B10 B9 B12 60.4(3) . . ?
B8 B9 H9 121.5 . . ?
B4 B9 B8 59.6(3) . . ?
B4 B9 H9 121.9 . . ?
B5 B9 B8 108.3(4) . . ?
B5 B9 H9 121.4 . . ?
B5 B9 B4 60.1(3) . . ?
B5 B9 B12 108.7(4) . . ?
B12 B9 B8 60.5(3) . . ?
B12 B9 H9 121.2 . . ?
B12 B9 B4 108.2(4) . . ?
N2 C5 H5 126.6 . . ?
C6 C5 N2 106.7(3) . . ?
C6 C5 H5 126.6 . . ?
N2 C7 Rh1 123.1(3) . . ?
N1 C7 Rh1 133.0(3) . . ?
N1 C7 N2 103.8(3) . . ?
C1 B4 B8 104.6(4) . . ?
C1 B4 B9 104.1(4) . . ?
C1 B4 H4 124.9 . . ?
C1 B4 B5 58.9(3) . . ?
C1 B4 B3 59.0(3) . . ?
B8 B4 B9 60.5(3) . . ?
B8 B4 H4 122.1 . . ?
B8 B4 B5 108.6(4) . . ?
B8 B4 B3 59.5(3) . . ?
B9 B4 H4 122.7 . . ?
B9 B4 B3 107.7(4) . . ?
B5 B4 B9 59.6(3) . . ?
B5 B4 H4 121.1 . . ?
B5 B4 B3 108.5(4) . . ?
B3 B4 H4 121.5 . . ?
C1 B5 B10 104.1(3) . . ?
C1 B5 B9 104.2(4) . . ?
C1 B5 B4 58.2(3) . . ?
C1 B5 H5A 125.3 . . ?
C1 B5 B6 58.7(3) . . ?
B10 B5 B4 108.0(4) . . ?
B10 B5 H5A 122.6 . . ?
B9 B5 B10 59.8(3) . . ?
B9 B5 B4 60.3(3) . . ?
B9 B5 H5A 122.5 . . ?
B9 B5 B6 107.8(3) . . ?
B4 B5 H5A 121.4 . . ?
B6 B5 B10 59.8(3) . . ?
B6 B5 B4 107.9(3) . . ?
B6 B5 H5A 121.5 . . ?
N1 C8 C9 106.9(4) . . ?
C11 C8 C9 106.9(5) . . ?
C11 C8 N1 113.1(3) . . ?
C10 C8 C9 110.2(6) . . ?
C10 C8 N1 109.3(4) . . ?
C10 C8 C11 110.4(5) . . ?
N2 C4 C3 111.9(3) . . ?
N2 C4 H4A 109.2 . . ?
N2 C4 H4B 109.2 . . ?
C3 C4 H4A 109.2 . . ?
C3 C4 H4B 109.2 . . ?
H4A C4 H4B 107.9 . . ?
N1 C6 H6 126.2 . . ?
C5 C6 N1 107.5(3) . . ?
C5 C6 H6 126.2 . . ?
C12 C13 H13A 109.0 . . ?
C12 C13 H13B 109.0 . . ?
C12 C13 C14 112.8(3) . . ?
H13A C13 H13B 107.8 . . ?
C14 C13 H13A 109.0 . . ?
C14 C13 H13B 109.0 . . ?
C19 C18 C17 112.1(3) . . ?
C19 C18 H18A 109.2 . . ?
C19 C18 H18B 109.2 . . ?
C17 C18 H18A 109.2 . . ?
C17 C18 H18B 109.2 . . ?
H18A C18 H18B 107.9 . . ?
C1 B6 B10 104.5(4) . . ?
C1 B6 C2 57.4(2) . . ?
C1 B6 B5 58.8(3) . . ?
C1 B6 H6A 124.9 . . ?
C1 B6 B11 103.9(3) . . ?
B10 B6 B5 60.1(3) . . ?
B10 B6 H6A 122.8 . . ?
B10 B6 B11 60.5(3) . . ?
C2 B6 B10 104.9(3) . . ?
C2 B6 B5 105.5(4) . . ?
C2 B6 H6A 124.3 . . ?
C2 B6 B11 57.9(2) . . ?
B5 B6 H6A 121.6 . . ?
B5 B6 B11 108.4(4) . . ?
B11 B6 H6A 122.4 . . ?
C15 C14 C13 112.5(3) . . ?
C15 C14 H14A 109.1 . . ?
C15 C14 H14B 109.1 . . ?
C13 C14 H14A 109.1 . . ?
C13 C14 H14B 109.1 . . ?
H14A C14 H14B 107.8 . . ?
C1 B3 B8 104.3(4) . . ?
C1 B3 C2 57.6(2) . . ?
C1 B3 B4 58.0(3) . . ?
C1 B3 H3 125.2 . . ?
C1 B3 B7 104.1(3) . . ?
B8 B3 B4 60.0(3) . . ?
B8 B3 H3 122.5 . . ?
C2 B3 B8 105.8(3) . . ?
C2 B3 B4 105.1(4) . . ?
C2 B3 H3 123.9 . . ?
C2 B3 B7 58.4(3) . . ?
B4 B3 H3 122.2 . . ?
B7 B3 B8 60.7(3) . . ?
B7 B3 B4 108.1(4) . . ?
B7 B3 H3 122.2 . . ?
B8 B7 H7 122.0 . . ?
C2 B7 B8 105.7(3) . . ?
C2 B7 B3 59.5(3) . . ?
C2 B7 H7 124.0 . . ?
C2 B7 B12 105.6(4) . . ?
C2 B7 B11 58.8(3) . . ?
B3 B7 B8 59.6(3) . . ?
B3 B7 H7 121.4 . . ?
B3 B7 B12 108.2(4) . . ?
B3 B7 B11 108.5(3) . . ?
B12 B7 B8 60.5(3) . . ?
B12 B7 H7 122.0 . . ?
B11 B7 B8 108.7(4) . . ?
B11 B7 H7 121.2 . . ?
B11 B7 B12 60.3(3) . . ?
B10 B12 B8 107.9(4) . . ?
B10 B12 B7 107.8(4) . . ?
B10 B12 H12A 121.8 . . ?
B10 B12 B11 60.2(3) . . ?
B8 B12 H12A 121.7 . . ?
B9 B12 B10 59.6(3) . . ?
B9 B12 B8 60.3(3) . . ?
B9 B12 B7 107.9(4) . . ?
B9 B12 H12A 121.8 . . ?
B9 B12 B11 107.7(4) . . ?
B7 B12 B8 59.9(3) . . ?
B7 B12 H12A 121.9 . . ?
B7 B12 B11 59.7(3) . . ?
B11 B12 B8 107.7(3) . . ?
B11 B12 H12A 121.9 . . ?
B10 B11 H11 122.5 . . ?
C2 B11 B10 105.6(3) . . ?
C2 B11 B6 59.9(2) . . ?
C2 B11 B7 58.5(2) . . ?
C2 B11 B12 105.3(3) . . ?
C2 B11 H11 123.8 . . ?
B6 B11 B10 59.3(3) . . ?
B6 B11 B12 107.4(4) . . ?
B6 B11 H11 121.5 . . ?
B7 B11 B10 107.8(4) . . ?
B7 B11 B6 108.2(3) . . ?
B7 B11 B12 60.1(3) . . ?
B7 B11 H11 121.6 . . ?
B12 B11 B10 59.8(3) . . ?
B12 B11 H11 122.5 . . ?

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
Rh1 C12 C19 C18 104.0(3) . . . . ?
Rh1 C12 C13 C14 -35.4(4) . . . . ?
Rh1 C16 C15 C14 105.8(4) . . . . ?
Rh1 C16 C17 C18 -35.2(4) . . . . ?
Rh1 C15 C14 C13 -11.3(4) . . . . ?
Rh1 C19 C18 C17 -12.5(4) . . . . ?
Cl1 Rh1 C12 C19 92.8(2) . . . . ?
Cl1 Rh1 C12 C13 -144.3(3) . . . . ?
Cl1 Rh1 C16 C15 -176.5(2) . . . . ?
Cl1 Rh1 C16 C17 -55.1(4) . . . . ?
Cl1 Rh1 C15 C16 174.4(3) . . . . ?
Cl1 Rh1 C15 C14 55.2(6) . . . . ?
Cl1 Rh1 C19 C12 -88.4(2) . . . . ?
Cl1 Rh1 C19 C18 151.4(3) . . . . ?
Cl1 Rh1 C7 N2 -88.6(3) . . . . ?
Cl1 Rh1 C7 N1 86.7(3) . . . . ?
C1 C2 B6 B10 -97.8(4) . . . . ?
C1 C2 B6 B5 -35.3(3) . . . . ?
C1 C2 B6 B11 -137.6(4) . . . . ?
C1 C2 B3 B8 97.1(4) . . . . ?
C1 C2 B3 B4 34.6(3) . . . . ?
C1 C2 B3 B7 136.8(3) . . . . ?
C1 C2 B7 B8 -0.3(4) . . . . ?
C1 C2 B7 B3 -39.4(3) . . . . ?
C1 C2 B7 B12 62.8(4) . . . . ?
C1 C2 B7 B11 102.3(3) . . . . ?
C1 C2 B11 B10 -1.0(4) . . . . ?
C1 C2 B11 B6 38.4(3) . . . . ?
C1 C2 B11 B7 -102.6(4) . . . . ?
C1 C2 B11 B12 -63.2(4) . . . . ?
C1 B4 B5 B10 95.8(4) . . . . ?
C1 B4 B5 B9 133.2(4) . . . . ?
C1 B4 B5 B6 32.5(3) . . . . ?
C1 B4 B3 B8 -134.2(4) . . . . ?
C1 B4 B3 C2 -34.5(3) . . . . ?
C1 B4 B3 B7 -95.7(4) . . . . ?
C1 B5 B6 B10 133.2(4) . . . . ?
C1 B5 B6 C2 34.7(3) . . . . ?
C1 B5 B6 B11 95.5(4) . . . . ?
C1 B6 B11 B10 98.9(4) . . . . ?
C1 B6 B11 C2 -35.8(3) . . . . ?
C1 B6 B11 B7 -1.4(4) . . . . ?
C1 B6 B11 B12 62.0(4) . . . . ?
C1 B3 B7 B8 -98.6(4) . . . . ?
C1 B3 B7 C2 36.6(3) . . . . ?
C1 B3 B7 B12 -61.2(4) . . . . ?
C1 B3 B7 B11 2.6(4) . . . . ?
C12 Rh1 C16 C15 -67.0(2) . . . . ?
C12 Rh1 C16 C17 54.4(3) . . . . ?
C12 Rh1 C15 C16 112.8(2) . . . . ?
C12 Rh1 C15 C14 -6.4(3) . . . . ?
C12 Rh1 C19 C18 -120.2(4) . . . . ?
C12 Rh1 C7 N2 -175.9(4) . . . . ?
C12 Rh1 C7 N1 -0.7(7) . . . . ?
C12 C19 C18 C17 -93.7(4) . . . . ?
C12 C13 C14 C15 31.4(5) . . . . ?
C16 Rh1 C12 C19 -64.3(2) . . . . ?
C16 Rh1 C12 C13 58.5(3) . . . . ?
C16 Rh1 C15 C14 -119.2(4) . . . . ?
C16 Rh1 C19 C12 115.3(2) . . . . ?
C16 Rh1 C19 C18 -4.9(3) . . . . ?
C16 Rh1 C7 N2 67.1(3) . . . . ?
C16 Rh1 C7 N1 -117.7(4) . . . . ?
C16 C15 C14 C13 -92.1(5) . . . . ?
C16 C17 C18 C19 30.9(5) . . . . ?
B10 B9 B4 C1 -2.4(5) . . . . ?
B10 B9 B4 B8 -101.5(4) . . . . ?
B10 B9 B4 B5 37.6(4) . . . . ?
B10 B9 B4 B3 -63.9(5) . . . . ?
B10 B9 B5 C1 -98.3(4) . . . . ?
B10 B9 B5 B4 -138.1(4) . . . . ?
B10 B9 B5 B6 -37.2(3) . . . . ?
B10 B9 B12 B8 138.3(4) . . . . ?
B10 B9 B12 B7 100.5(4) . . . . ?
B10 B9 B12 B11 37.5(3) . . . . ?
B10 B5 B6 C1 -133.2(4) . . . . ?
B10 B5 B6 C2 -98.6(4) . . . . ?
B10 B5 B6 B11 -37.8(3) . . . . ?
B10 B6 B11 C2 -134.8(4) . . . . ?
B10 B6 B11 B7 -100.3(4) . . . . ?
B10 B6 B11 B12 -36.9(4) . . . . ?
B10 B12 B11 C2 99.4(3) . . . . ?
B10 B12 B11 B6 36.7(3) . . . . ?
B10 B12 B11 B7 138.0(4) . . . . ?
N2 C5 C6 N1 -0.6(4) . . . . ?
C15 Rh1 C12 C19 -100.1(2) . . . . ?
C15 Rh1 C12 C13 22.7(3) . . . . ?
C15 Rh1 C16 C17 121.4(4) . . . . ?
C15 Rh1 C19 C12 77.0(2) . . . . ?
C15 Rh1 C19 C18 -43.2(3) . . . . ?
C15 Rh1 C7 N2 106.0(3) . . . . ?
C15 Rh1 C7 N1 -78.8(4) . . . . ?
C15 C16 C17 C18 46.7(5) . . . . ?
C3 C2 B6 C1 -109.4(4) . . . . ?
C3 C2 B6 B10 152.8(3) . . . . ?
C3 C2 B6 B5 -144.7(3) . . . . ?
C3 C2 B6 B11 113.0(4) . . . . ?
C3 C2 B3 C1 111.6(4) . . . . ?
C3 C2 B3 B8 -151.3(3) . . . . ?
C3 C2 B3 B4 146.2(3) . . . . ?
C3 C2 B3 B7 -111.6(4) . . . . ?
C3 C2 B7 B8 144.1(4) . . . . ?
C3 C2 B7 B3 104.9(4) . . . . ?
C3 C2 B7 B12 -152.9(4) . . . . ?
C3 C2 B7 B11 -113.3(4) . . . . ?
C3 C2 B11 B10 -149.0(4) . . . . ?
C3 C2 B11 B6 -109.6(4) . . . . ?
C3 C2 B11 B7 109.4(4) . . . . ?
C3 C2 B11 B12 148.8(4) . . . . ?
B8 B9 B4 C1 99.1(4) . . . . ?
B8 B9 B4 B5 139.1(4) . . . . ?
B8 B9 B4 B3 37.6(4) . . . . ?
B8 B9 B5 C1 3.3(5) . . . . ?
B8 B9 B5 B10 101.6(4) . . . . ?
B8 B9 B5 B4 -36.5(4) . . . . ?
B8 B9 B5 B6 64.4(5) . . . . ?
B8 B9 B12 B10 -138.3(4) . . . . ?
B8 B9 B12 B7 -37.7(4) . . . . ?
B8 B9 B12 B11 -100.7(4) . . . . ?
B8 B4 B5 C1 -96.2(4) . . . . ?
B8 B4 B5 B10 -0.5(5) . . . . ?
B8 B4 B5 B9 36.9(4) . . . . ?
B8 B4 B5 B6 -63.7(4) . . . . ?
B8 B4 B3 C1 134.2(4) . . . . ?
B8 B4 B3 C2 99.7(4) . . . . ?
B8 B4 B3 B7 38.5(4) . . . . ?
B8 B3 B7 C2 135.2(4) . . . . ?
B8 B3 B7 B12 37.4(4) . . . . ?
B8 B3 B7 B11 101.3(4) . . . . ?
B8 B7 B12 B10 100.8(4) . . . . ?
B8 B7 B12 B9 37.9(4) . . . . ?
B8 B7 B12 B11 138.4(4) . . . . ?
B8 B7 B11 B10 -0.2(4) . . . . ?
B8 B7 B11 C2 97.5(4) . . . . ?
B8 B7 B11 B6 62.5(4) . . . . ?
B8 B7 B11 B12 -37.6(3) . . . . ?
B8 B12 B11 B10 -100.9(4) . . . . ?
B8 B12 B11 C2 -1.5(4) . . . . ?
B8 B12 B11 B6 -64.2(4) . . . . ?
B8 B12 B11 B7 37.1(3) . . . . ?
C2 C1 B4 B8 -1.7(5) . . . . ?
C2 C1 B4 B9 -64.4(5) . . . . ?
C2 C1 B4 B5 -104.8(3) . . . . ?
C2 C1 B4 B3 37.9(3) . . . . ?
C2 C1 B5 B10 1.8(5) . . . . ?
C2 C1 B5 B9 63.7(4) . . . . ?
C2 C1 B5 B4 104.5(4) . . . . ?
C2 C1 B5 B6 -38.7(3) . . . . ?
C2 C1 B6 B10 98.7(3) . . . . ?
C2 C1 B6 B5 139.4(3) . . . . ?
C2 C1 B6 B11 36.1(3) . . . . ?
C2 C1 B3 B8 -99.8(4) . . . . ?
C2 C1 B3 B4 -139.7(3) . . . . ?
C2 C1 B3 B7 -37.0(3) . . . . ?
C2 C3 C4 N2 -167.6(3) . . . . ?
C2 B6 B11 B10 134.8(4) . . . . ?
C2 B6 B11 B7 34.4(3) . . . . ?
C2 B6 B11 B12 97.9(4) . . . . ?
C2 B3 B7 B8 -135.2(4) . . . . ?
C2 B3 B7 B12 -97.8(4) . . . . ?
C2 B3 B7 B11 -33.9(3) . . . . ?
C2 B7 B12 B10 1.3(5) . . . . ?
C2 B7 B12 B8 -99.5(4) . . . . ?
C2 B7 B12 B9 -61.6(5) . . . . ?
C2 B7 B12 B11 38.8(3) . . . . ?
C2 B7 B11 B10 -97.7(3) . . . . ?
C2 B7 B11 B6 -35.0(3) . . . . ?
C2 B7 B11 B12 -135.1(4) . . . . ?
C19 Rh1 C12 C13 122.8(4) . . . . ?
C19 Rh1 C16 C15 -99.9(2) . . . . ?
C19 Rh1 C16 C17 21.5(3) . . . . ?
C19 Rh1 C15 C16 76.9(2) . . . . ?
C19 Rh1 C15 C14 -42.3(3) . . . . ?
C19 Rh1 C7 N2 3.4(6) . . . . ?
C19 Rh1 C7 N1 178.6(4) . . . . ?
C19 C12 C13 C14 46.1(5) . . . . ?
C17 C16 C15 Rh1 -103.9(4) . . . . ?
C17 C16 C15 C14 1.9(6) . . . . ?
B9 B10 B5 C1 98.4(4) . . . . ?
B9 B10 B5 B4 37.6(4) . . . . ?
B9 B10 B5 B6 138.3(4) . . . . ?
B9 B10 B6 C1 2.8(4) . . . . ?
B9 B10 B6 C2 62.3(4) . . . . ?
B9 B10 B6 B5 -37.3(4) . . . . ?
B9 B10 B6 B11 100.8(4) . . . . ?
B9 B10 B12 B8 -37.4(4) . . . . ?
B9 B10 B12 B7 -100.7(4) . . . . ?
B9 B10 B12 B11 -138.0(4) . . . . ?
B9 B10 B11 C2 -61.3(4) . . . . ?
B9 B10 B11 B6 -100.9(4) . . . . ?
B9 B10 B11 B7 0.0(4) . . . . ?
B9 B10 B11 B12 37.5(3) . . . . ?
B9 B8 B4 C1 -98.1(4) . . . . ?
B9 B8 B4 B5 -36.5(4) . . . . ?
B9 B8 B4 B3 -137.5(4) . . . . ?
B9 B8 B3 C1 -1.0(5) . . . . ?
B9 B8 B3 C2 -60.8(5) . . . . ?
B9 B8 B3 B4 37.8(4) . . . . ?
B9 B8 B3 B7 -99.4(4) . . . . ?
B9 B8 B7 C2 62.2(4) . . . . ?
B9 B8 B7 B3 101.3(4) . . . . ?
B9 B8 B7 B12 -37.2(3) . . . . ?
B9 B8 B7 B11 0.3(4) . . . . ?
B9 B8 B12 B10 37.1(4) . . . . ?
B9 B8 B12 B7 137.7(4) . . . . ?
B9 B8 B12 B11 100.7(4) . . . . ?
B9 B4 B5 C1 -133.2(4) . . . . ?
B9 B4 B5 B10 -37.4(4) . . . . ?
B9 B4 B5 B6 -100.6(4) . . . . ?
B9 B4 B3 C1 96.1(4) . . . . ?
B9 B4 B3 B8 -38.1(4) . . . . ?
B9 B4 B3 C2 61.6(5) . . . . ?
B9 B4 B3 B7 0.4(5) . . . . ?
B9 B5 B6 C1 -96.1(4) . . . . ?
B9 B5 B6 B10 37.2(4) . . . . ?
B9 B5 B6 C2 -61.4(4) . . . . ?
B9 B5 B6 B11 -0.6(5) . . . . ?
B9 B12 B11 B10 -37.3(4) . . . . ?
B9 B12 B11 C2 62.1(4) . . . . ?
B9 B12 B11 B6 -0.6(5) . . . . ?
B9 B12 B11 B7 100.8(4) . . . . ?
C5 N2 C7 Rh1 176.2(2) . . . . ?
C5 N2 C7 N1 -0.1(4) . . . . ?
C5 N2 C4 C3 -82.9(4) . . . . ?
C7 Rh1 C12 C19 179.6(4) . . . . ?
C7 Rh1 C12 C13 -57.5(6) . . . . ?
C7 Rh1 C16 C15 96.2(2) . . . . ?
C7 Rh1 C16 C17 -142.4(3) . . . . ?
C7 Rh1 C15 C16 -85.8(2) . . . . ?
C7 Rh1 C15 C14 155.0(3) . . . . ?
C7 Rh1 C19 C12 -179.6(4) . . . . ?
C7 Rh1 C19 C18 60.2(6) . . . . ?
C7 N2 C5 C6 0.5(4) . . . . ?
C7 N2 C4 C3 92.8(4) . . . . ?
C7 N1 C8 C9 -117.3(6) . . . . ?
C7 N1 C8 C11 0.0(6) . . . . ?
C7 N1 C8 C10 123.4(5) . . . . ?
C7 N1 C6 C5 0.5(4) . . . . ?
B4 C1 C2 C3 -142.9(4) . . . . ?
B4 C1 C2 B6 107.5(4) . . . . ?
B4 C1 C2 B3 -38.6(3) . . . . ?
B4 C1 C2 B7 1.3(5) . . . . ?
B4 C1 C2 B11 68.2(4) . . . . ?
B4 C1 B5 B10 -102.7(4) . . . . ?
B4 C1 B5 B9 -40.8(3) . . . . ?
B4 C1 B5 B6 -143.2(4) . . . . ?
B4 C1 B6 B10 -4.7(4) . . . . ?
B4 C1 B6 C2 -103.4(4) . . . . ?
B4 C1 B6 B5 36.0(4) . . . . ?
B4 C1 B6 B11 -67.3(4) . . . . ?
B4 C1 B3 B8 39.8(3) . . . . ?
B4 C1 B3 C2 139.7(3) . . . . ?
B4 C1 B3 B7 102.7(4) . . . . ?
B4 B8 B9 B10 100.6(4) . . . . ?
B4 B8 B9 B5 36.7(4) . . . . ?
B4 B8 B9 B12 138.3(4) . . . . ?
B4 B8 B3 C1 -38.8(3) . . . . ?
B4 B8 B3 C2 -98.7(4) . . . . ?
B4 B8 B3 B7 -137.2(4) . . . . ?
B4 B8 B7 C2 -0.8(5) . . . . ?
B4 B8 B7 B3 38.3(4) . . . . ?
B4 B8 B7 B12 -100.1(4) . . . . ?
B4 B8 B7 B11 -62.6(5) . . . . ?
B4 B8 B12 B10 0.1(5) . . . . ?
B4 B8 B12 B9 -37.0(4) . . . . ?
B4 B8 B12 B7 100.7(4) . . . . ?
B4 B8 B12 B11 63.6(4) . . . . ?
B4 B9 B5 C1 39.8(3) . . . . ?
B4 B9 B5 B10 138.1(4) . . . . ?
B4 B9 B5 B6 100.9(4) . . . . ?
B4 B9 B12 B10 -101.1(4) . . . . ?
B4 B9 B12 B8 37.1(4) . . . . ?
B4 B9 B12 B7 -0.6(6) . . . . ?
B4 B9 B12 B11 -63.6(5) . . . . ?
B4 B5 B6 C1 -32.4(3) . . . . ?
B4 B5 B6 B10 100.9(4) . . . . ?
B4 B5 B6 C2 2.3(4) . . . . ?
B4 B5 B6 B11 63.1(4) . . . . ?
B4 B3 B7 B8 -38.2(4) . . . . ?
B4 B3 B7 C2 97.0(4) . . . . ?
B4 B3 B7 B12 -0.8(5) . . . . ?
B4 B3 B7 B11 63.1(4) . . . . ?
B5 C1 C2 C3 148.3(4) . . . . ?
B5 C1 C2 B6 38.7(4) . . . . ?
B5 C1 C2 B3 -107.4(4) . . . . ?
B5 C1 C2 B7 -67.5(4) . . . . ?
B5 C1 C2 B11 -0.5(5) . . . . ?
B5 C1 B4 B8 103.1(4) . . . . ?
B5 C1 B4 B9 40.4(3) . . . . ?
B5 C1 B4 B3 142.8(3) . . . . ?
B5 C1 B6 B10 -40.7(3) . . . . ?
B5 C1 B6 C2 -139.4(3) . . . . ?
B5 C1 B6 B11 -103.3(4) . . . . ?
B5 C1 B3 B8 3.3(5) . . . . ?
B5 C1 B3 C2 103.2(4) . . . . ?
B5 C1 B3 B4 -36.5(3) . . . . ?
B5 C1 B3 B7 66.2(4) . . . . ?
B5 B10 B9 B8 -100.8(4) . . . . ?
B5 B10 B9 B4 -37.6(4) . . . . ?
B5 B10 B9 B12 -138.6(4) . . . . ?
B5 B10 B6 C1 40.1(3) . . . . ?
B5 B10 B6 C2 99.5(4) . . . . ?
B5 B10 B6 B11 138.1(4) . . . . ?
B5 B10 B12 B8 -0.4(5) . . . . ?
B5 B10 B12 B9 37.1(3) . . . . ?
B5 B10 B12 B7 -63.6(5) . . . . ?
B5 B10 B12 B11 -100.9(4) . . . . ?
B5 B10 B11 C2 2.1(5) . . . . ?
B5 B10 B11 B6 -37.6(4) . . . . ?
B5 B10 B11 B7 63.4(5) . . . . ?
B5 B10 B11 B12 100.9(4) . . . . ?
B5 B9 B4 C1 -40.1(3) . . . . ?
B5 B9 B4 B8 -139.1(4) . . . . ?
B5 B9 B4 B3 -101.5(4) . . . . ?
B5 B9 B12 B10 -37.4(4) . . . . ?
B5 B9 B12 B8 100.9(4) . . . . ?
B5 B9 B12 B7 63.2(5) . . . . ?
B5 B9 B12 B11 0.2(5) . . . . ?
B5 B4 B3 C1 33.1(3) . . . . ?
B5 B4 B3 B8 -101.1(4) . . . . ?
B5 B4 B3 C2 -1.4(4) . . . . ?
B5 B4 B3 B7 -62.6(4) . . . . ?
B5 B6 B11 B10 37.6(4) . . . . ?
B5 B6 B11 C2 -97.1(4) . . . . ?
B5 B6 B11 B7 -62.7(4) . . . . ?
B5 B6 B11 B12 0.7(5) . . . . ?
C8 N1 C7 Rh1 1.8(6) . . . . ?
C8 N1 C7 N2 177.7(3) . . . . ?
C8 N1 C6 C5 -177.6(3) . . . . ?
C4 N2 C5 C6 176.7(3) . . . . ?
C4 N2 C7 Rh1 0.0(5) . . . . ?
C4 N2 C7 N1 -176.4(3) . . . . ?
C4 C3 C2 C1 -78.5(4) . . . . ?
C4 C3 C2 B6 -7.9(5) . . . . ?
C4 C3 C2 B3 -148.3(3) . . . . ?
C4 C3 C2 B7 140.8(4) . . . . ?
C4 C3 C2 B11 66.2(5) . . . . ?
C6 N1 C7 Rh1 -176.1(3) . . . . ?
C6 N1 C7 N2 -0.2(4) . . . . ?
C6 N1 C8 C9 60.4(6) . . . . ?
C6 N1 C8 C11 177.7(4) . . . . ?
C6 N1 C8 C10 -58.9(6) . . . . ?
C13 C12 C19 Rh1 -100.6(4) . . . . ?
C13 C12 C19 C18 3.4(6) . . . . ?
B6 C1 C2 C3 109.6(4) . . . . ?
B6 C1 C2 B3 -146.1(3) . . . . ?
B6 C1 C2 B7 -106.2(4) . . . . ?
B6 C1 C2 B11 -39.2(3) . . . . ?
B6 C1 B4 B8 67.2(5) . . . . ?
B6 C1 B4 B9 4.5(5) . . . . ?
B6 C1 B4 B5 -35.9(3) . . . . ?
B6 C1 B4 B3 106.9(4) . . . . ?
B6 C1 B5 B10 40.5(4) . . . . ?
B6 C1 B5 B9 102.4(4) . . . . ?
B6 C1 B5 B4 143.2(4) . . . . ?
B6 C1 B3 B8 -66.7(4) . . . . ?
B6 C1 B3 C2 33.2(3) . . . . ?
B6 C1 B3 B4 -106.5(4) . . . . ?
B6 C1 B3 B7 -3.8(5) . . . . ?
B6 B10 B9 B8 -63.5(4) . . . . ?
B6 B10 B9 B4 -0.2(5) . . . . ?
B6 B10 B9 B5 37.3(3) . . . . ?
B6 B10 B9 B12 -101.2(4) . . . . ?
B6 B10 B5 C1 -39.9(3) . . . . ?
B6 B10 B5 B9 -138.3(4) . . . . ?
B6 B10 B5 B4 -100.7(4) . . . . ?
B6 B10 B12 B8 63.3(5) . . . . ?
B6 B10 B12 B9 100.7(4) . . . . ?
B6 B10 B12 B7 0.0(5) . . . . ?
B6 B10 B12 B11 -37.3(3) . . . . ?
B6 B10 B11 C2 39.6(3) . . . . ?
B6 B10 B11 B7 101.0(4) . . . . ?
B6 B10 B11 B12 138.5(4) . . . . ?
B6 C2 B3 C1 -31.7(3) . . . . ?
B6 C2 B3 B8 65.5(4) . . . . ?
B6 C2 B3 B4 3.0(4) . . . . ?
B6 C2 B3 B7 105.2(4) . . . . ?
B6 C2 B7 B8 -65.3(4) . . . . ?
B6 C2 B7 B3 -104.4(4) . . . . ?
B6 C2 B7 B12 -2.2(5) . . . . ?
B6 C2 B7 B11 37.3(3) . . . . ?
B6 C2 B11 B10 -39.4(3) . . . . ?
B6 C2 B11 B7 -140.9(4) . . . . ?
B6 C2 B11 B12 -101.6(4) . . . . ?
B3 C1 C2 C3 -104.3(4) . . . . ?
B3 C1 C2 B6 146.1(3) . . . . ?
B3 C1 C2 B7 39.9(3) . . . . ?
B3 C1 C2 B11 106.9(4) . . . . ?
B3 C1 B4 B8 -39.7(4) . . . . ?
B3 C1 B4 B9 -102.4(4) . . . . ?
B3 C1 B4 B5 -142.8(3) . . . . ?
B3 C1 B5 B10 -66.1(5) . . . . ?
B3 C1 B5 B9 -4.2(5) . . . . ?
B3 C1 B5 B4 36.6(3) . . . . ?
B3 C1 B5 B6 -106.6(4) . . . . ?
B3 C1 B6 B10 65.9(4) . . . . ?
B3 C1 B6 C2 -32.8(3) . . . . ?
B3 C1 B6 B5 106.6(4) . . . . ?
B3 C1 B6 B11 3.3(5) . . . . ?
B3 B8 B9 B10 62.5(5) . . . . ?
B3 B8 B9 B4 -38.2(4) . . . . ?
B3 B8 B9 B5 -1.5(5) . . . . ?
B3 B8 B9 B12 100.2(4) . . . . ?
B3 B8 B4 C1 39.4(3) . . . . ?
B3 B8 B4 B9 137.5(4) . . . . ?
B3 B8 B4 B5 101.0(4) . . . . ?
B3 B8 B7 C2 -39.1(3) . . . . ?
B3 B8 B7 B12 -138.4(4) . . . . ?
B3 B8 B7 B11 -100.9(4) . . . . ?
B3 B8 B12 B10 -63.7(5) . . . . ?
B3 B8 B12 B9 -100.8(4) . . . . ?
B3 B8 B12 B7 36.9(3) . . . . ?
B3 B8 B12 B11 -0.1(5) . . . . ?
B3 C2 B6 C1 31.9(3) . . . . ?
B3 C2 B6 B10 -65.9(4) . . . . ?
B3 C2 B6 B5 -3.4(4) . . . . ?
B3 C2 B6 B11 -105.6(4) . . . . ?
B3 C2 B7 B8 39.2(3) . . . . ?
B3 C2 B7 B12 102.2(4) . . . . ?
B3 C2 B7 B11 141.8(4) . . . . ?
B3 C2 B11 B10 65.0(4) . . . . ?
B3 C2 B11 B6 104.3(4) . . . . ?
B3 C2 B11 B7 -36.6(3) . . . . ?
B3 C2 B11 B12 2.7(4) . . . . ?
B3 B4 B5 C1 -33.1(3) . . . . ?
B3 B4 B5 B10 62.6(4) . . . . ?
B3 B4 B5 B9 100.0(4) . . . . ?
B3 B4 B5 B6 -0.6(4) . . . . ?
B3 B7 B12 B10 63.8(5) . . . . ?
B3 B7 B12 B8 -37.1(4) . . . . ?
B3 B7 B12 B9 0.9(5) . . . . ?
B3 B7 B12 B11 101.3(4) . . . . ?
B3 B7 B11 B10 -63.5(4) . . . . ?
B3 B7 B11 C2 34.2(3) . . . . ?
B3 B7 B11 B6 -0.8(5) . . . . ?
B3 B7 B11 B12 -100.9(4) . . . . ?
B7 B8 B9 B10 -0.3(5) . . . . ?
B7 B8 B9 B4 -100.9(4) . . . . ?
B7 B8 B9 B5 -64.2(5) . . . . ?
B7 B8 B9 B12 37.4(3) . . . . ?
B7 B8 B4 C1 1.5(5) . . . . ?
B7 B8 B4 B9 99.6(4) . . . . ?
B7 B8 B4 B5 63.1(5) . . . . ?
B7 B8 B4 B3 -37.9(4) . . . . ?
B7 B8 B3 C1 98.4(4) . . . . ?
B7 B8 B3 C2 38.6(3) . . . . ?
B7 B8 B3 B4 137.2(4) . . . . ?
B7 B8 B12 B10 -100.6(4) . . . . ?
B7 B8 B12 B9 -137.7(4) . . . . ?
B7 B8 B12 B11 -37.0(3) . . . . ?
B7 C2 B6 C1 100.0(4) . . . . ?
B7 C2 B6 B10 2.2(4) . . . . ?
B7 C2 B6 B5 64.7(4) . . . . ?
B7 C2 B6 B11 -37.5(4) . . . . ?
B7 C2 B3 C1 -136.8(3) . . . . ?
B7 C2 B3 B8 -39.7(3) . . . . ?
B7 C2 B3 B4 -102.2(4) . . . . ?
B7 C2 B11 B10 101.6(4) . . . . ?
B7 C2 B11 B6 140.9(4) . . . . ?
B7 C2 B11 B12 39.4(3) . . . . ?
B7 B12 B11 B10 -138.0(4) . . . . ?
B7 B12 B11 C2 -38.6(3) . . . . ?
B7 B12 B11 B6 -101.3(4) . . . . ?
B12 B10 B9 B8 37.7(3) . . . . ?
B12 B10 B9 B4 101.0(4) . . . . ?
B12 B10 B9 B5 138.6(4) . . . . ?
B12 B10 B5 C1 61.2(5) . . . . ?
B12 B10 B5 B9 -37.1(4) . . . . ?
B12 B10 B5 B4 0.5(5) . . . . ?
B12 B10 B5 B6 101.2(4) . . . . ?
B12 B10 B6 C1 -60.8(4) . . . . ?
B12 B10 B6 C2 -1.3(5) . . . . ?
B12 B10 B6 B5 -100.8(4) . . . . ?
B12 B10 B6 B11 37.2(3) . . . . ?
B12 B10 B11 C2 -98.8(4) . . . . ?
B12 B10 B11 B6 -138.5(4) . . . . ?
B12 B10 B11 B7 -37.5(3) . . . . ?
B12 B8 B9 B10 -37.7(3) . . . . ?
B12 B8 B9 B4 -138.3(4) . . . . ?
B12 B8 B9 B5 -101.6(4) . . . . ?
B12 B8 B4 C1 -61.4(4) . . . . ?
B12 B8 B4 B9 36.8(4) . . . . ?
B12 B8 B4 B5 0.2(5) . . . . ?
B12 B8 B4 B3 -100.8(4) . . . . ?
B12 B8 B3 C1 61.5(4) . . . . ?
B12 B8 B3 C2 1.7(5) . . . . ?
B12 B8 B3 B4 100.3(4) . . . . ?
B12 B8 B3 B7 -36.9(4) . . . . ?
B12 B8 B7 C2 99.3(4) . . . . ?
B12 B8 B7 B3 138.4(4) . . . . ?
B12 B8 B7 B11 37.5(3) . . . . ?
B12 B9 B4 C1 61.5(5) . . . . ?
B12 B9 B4 B8 -37.5(4) . . . . ?
B12 B9 B4 B5 101.6(4) . . . . ?
B12 B9 B4 B3 0.1(6) . . . . ?
B12 B9 B5 C1 -60.9(5) . . . . ?
B12 B9 B5 B10 37.4(4) . . . . ?
B12 B9 B5 B4 -100.7(4) . . . . ?
B12 B9 B5 B6 0.3(5) . . . . ?
B12 B7 B11 B10 37.4(3) . . . . ?
B12 B7 B11 C2 135.1(4) . . . . ?
B12 B7 B11 B6 100.1(4) . . . . ?
B11 B10 B9 B8 0.2(5) . . . . ?
B11 B10 B9 B4 63.4(5) . . . . ?
B11 B10 B9 B5 101.0(4) . . . . ?
B11 B10 B9 B12 -37.6(3) . . . . ?
B11 B10 B5 C1 -2.3(5) . . . . ?
B11 B10 B5 B9 -100.7(4) . . . . ?
B11 B10 B5 B4 -63.1(5) . . . . ?
B11 B10 B5 B6 37.6(4) . . . . ?
B11 B10 B6 C1 -98.0(3) . . . . ?
B11 B10 B6 C2 -38.5(3) . . . . ?
B11 B10 B6 B5 -138.1(4) . . . . ?
B11 B10 B12 B8 100.6(4) . . . . ?
B11 B10 B12 B9 138.0(4) . . . . ?
B11 B10 B12 B7 37.3(3) . . . . ?
B11 C2 B6 C1 137.6(4) . . . . ?
B11 C2 B6 B10 39.7(3) . . . . ?
B11 C2 B6 B5 102.3(4) . . . . ?
B11 C2 B3 C1 -100.0(3) . . . . ?
B11 C2 B3 B8 -2.8(5) . . . . ?
B11 C2 B3 B4 -65.3(4) . . . . ?
B11 C2 B3 B7 36.9(3) . . . . ?
B11 C2 B7 B8 -102.6(4) . . . . ?
B11 C2 B7 B3 -141.8(4) . . . . ?
B11 C2 B7 B12 -39.5(3) . . . . ?
B11 B7 B12 B10 -37.5(3) . . . . ?
B11 B7 B12 B8 -138.4(4) . . . . ?
B11 B7 B12 B9 -100.4(4) . . . . ?

loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
6 -20 0 0.0351 6.0004 -19.9767 -0.0094 0.5095 -0.6256 0.5642
-6 20 -2 0.0475 -5.9977 19.9778 -1.9887 -0.5223 0.5529 -0.6372
3 -6 -18 0.0577 3.0253 -5.9830 -17.9840 0.1054 -0.8357 -0.4994
-2 6 19 0.0646 -2.0261 5.9820 18.9844 -0.0428 0.8772 0.5258
-13 -15 1 0.0313 -13.0121 -14.9752 0.9697 -0.5949 -0.5233 0.6362
15 -4 8 0.0327 14.9979 -4.0063 8.0081 0.9285 0.2369 0.2654
3 -19 9 0.0410 2.9864 -18.9819 8.9790 0.3897 -0.2811 0.8916
5 21 0 0.0374 5.0067 20.9704 0.0242 0.1001 0.7152 -0.7065
-10 5 16 0.0650 -10.0272 4.9887 15.9762 -0.5029 0.6940 0.5283
-17 -4 1 0.0301 -17.0128 -3.9877 0.9740 -0.9145 -0.1828 0.3330
17 5 -2 0.0110 17.0143 4.9870 -1.9721 0.8995 0.1793 -0.4007
-17 4 0 0.0279 -17.0101 4.0025 -0.0183 -0.9898 0.0435 0.0466
17 -4 -2 0.0100 17.0128 -4.0013 -1.9798 0.9770 -0.1162 -0.1195

_olex2_date_sample_data_collection 2015-06-07
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Complex-6
_database_code_depnum_ccdc_archive 'CCDC 1444078'
_audit_update_record             
;
2015-12-23 deposited with the CCDC.
2016-04-12 downloaded from the CCDC.
;
_audit_creation_date             2015-09-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C19 H37 B10 N2 Rh'
_chemical_formula_sum            'C19 H37 B10 N2 Rh'
_chemical_formula_weight         504.52
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C76 H148 B40 N8 Rh4 O1 '
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'
B B 0.0013 0.0007 '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'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x, -y-1/2, z-1/2'

_cell_length_a                   17.2832(5)
_cell_length_b                   10.5283(2)
_cell_length_c                   14.1775(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 113.020(3)
_cell_angle_gamma                90.00
_cell_volume                     2374.33(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8794
_cell_measurement_temperature    119.99(10)
_cell_measurement_theta_max      30.7310
_cell_measurement_theta_min      3.7320
_exptl_absorpt_coefficient_mu    0.731
_exptl_absorpt_correction_T_max  0.927
_exptl_absorpt_correction_T_min  0.754
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   
'CrysAlisPro, Agilent Technologies, Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET) (compiled Mar 27 2014,17:12:48) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.'
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.411
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1040
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.65
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.11
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0891
_diffrn_reflns_av_unetI/netI     0.0773
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            20821
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         3.06
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      119.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.3095
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega    4.00   58.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -       12.9509   57.0000   60.0000 54

#__ type_ start__ end____ width___ exp.time_
  2 omega  -11.00   50.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -       12.9509   57.0000    0.0000 61

#__ type_ start__ end____ width___ exp.time_
  3 omega   12.00   80.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -       12.9509   37.0000  -90.0000 68

#__ type_ start__ end____ width___ exp.time_
  4 omega   13.00   38.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -       12.9509  -57.0000  -60.0000 25

#__ type_ start__ end____ width___ exp.time_
  5 omega  -41.00  -16.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -       12.9509  -57.0000  -60.0000 25

#__ type_ start__ end____ width___ exp.time_
  6 omega  -84.00  -39.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -      -13.7322  -37.0000   60.0000 45

#__ type_ start__ end____ width___ exp.time_
  7 omega  -57.00  -32.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -       12.9509  -37.0000  150.0000 25

#__ type_ start__ end____ width___ exp.time_
  8 omega    8.00   33.00   1.0000    2.5000
omega____ theta____ kappa____ phi______ frames
    -       12.9509  -37.0000  150.0000 25
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0185580000
_diffrn_orient_matrix_UB_12      -0.0504983000
_diffrn_orient_matrix_UB_13      -0.0345939000
_diffrn_orient_matrix_UB_21      -0.0249001000
_diffrn_orient_matrix_UB_22      0.0442929000
_diffrn_orient_matrix_UB_23      -0.0371889000
_diffrn_orient_matrix_UB_31      0.0319898000
_diffrn_orient_matrix_UB_32      0.0051704000
_diffrn_orient_matrix_UB_33      -0.0193891000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                4816
_reflns_number_total             5881
_reflns_odcompleteness_completeness 99.81
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     28.22
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         1.295
_refine_diff_density_min         -0.525
_refine_diff_density_rms         0.136
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     292
_refine_ls_number_reflns         5881
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0565
_refine_ls_R_factor_gt           0.0443
_refine_ls_restrained_S_all      1.097
_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)+(0.0393P)²+0.9499P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1013
_refine_ls_wR_factor_ref         0.1155
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C12(H12), C15(H15), C16(H16), C19(H19)
2.b Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C4(H4A,H4B), C13(H13A,H13B), C14(H14A,H14B), C17(H17A,H17B),
 C18(H18A,H18B)
2.c Aromatic/amide H refined with riding coordinates:
 C5(H5), C6(H6)
2.d Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C11(H11A,H11B,H11C)
2.e Boron cage BH refined with riding coordinates:
 B3(H3), B4(H4), B5(H5A), B6(H6A), B7(H7), B8(H8), B9(H9), B10(H10), B11(H11),
 B12(H12A)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
Rh1 Rh 0.181565(13) 0.29594(2) 0.486649(15) 0.01165(9) Uani 1 d . . .
N1 N 0.36457(15) 0.2178(2) 0.64079(18) 0.0148(5) Uani 1 d . . .
C1 C 0.22665(17) 0.4658(3) 0.4398(2) 0.0149(6) Uani 1 d . . .
N2 N 0.30608(14) 0.3719(2) 0.68752(17) 0.0151(5) Uani 1 d . . .
C2 C 0.27163(18) 0.5912(3) 0.5230(2) 0.0149(6) Uani 1 d . . .
C3 C 0.2784(2) 0.5956(3) 0.6344(2) 0.0184(6) Uani 1 d . . .
H3A H 0.3366 0.6122 0.6780 0.022 Uiso 1 calc . . R
H3B H 0.2459 0.6678 0.6406 0.022 Uiso 1 calc . . R
B3 B 0.1744(2) 0.6092(3) 0.4295(2) 0.0170(7) Uani 1 d . . .
H3 H 0.1169 0.6157 0.4448 0.020 Uiso 1 calc . . R
C4 C 0.25048(19) 0.4810(3) 0.6771(2) 0.0169(6) Uani 1 d . . .
H4A H 0.2504 0.5019 0.7437 0.020 Uiso 1 calc . . R
H4B H 0.1935 0.4585 0.6321 0.020 Uiso 1 calc . . R
B4 B 0.1773(2) 0.5324(3) 0.3200(2) 0.0152(6) Uani 1 d . . .
H4 H 0.1205 0.4906 0.2614 0.018 Uiso 1 calc . . R
C5 C 0.38459(19) 0.3570(3) 0.7638(2) 0.0209(6) Uani 1 d . . .
H5 H 0.4078 0.4048 0.8235 0.025 Uiso 1 calc . . R
B5 B 0.2765(2) 0.4602(3) 0.3558(2) 0.0144(6) Uani 1 d . . .
H5A H 0.2852 0.3705 0.3213 0.017 Uiso 1 calc . . R
C6 C 0.42128(19) 0.2603(3) 0.7357(2) 0.0204(6) Uani 1 d . . .
H6 H 0.4746 0.2277 0.7727 0.024 Uiso 1 calc . . R
B6 B 0.3350(2) 0.4955(3) 0.4867(2) 0.0139(6) Uani 1 d . . .
H6A H 0.3810 0.4290 0.5389 0.017 Uiso 1 calc . . R
C7 C 0.29240(18) 0.2876(3) 0.6101(2) 0.0134(6) Uani 1 d . . .
B7 B 0.2499(2) 0.7347(4) 0.4616(3) 0.0180(7) Uani 1 d . . .
H7 H 0.2408 0.8236 0.4966 0.022 Uiso 1 calc . . R
C8 C 0.38967(18) 0.1182(3) 0.5832(2) 0.0179(6) Uani 1 d . . .
B8 B 0.1906(2) 0.7001(3) 0.3314(3) 0.0174(7) Uani 1 d . . .
H8 H 0.1430 0.7662 0.2812 0.021 Uiso 1 calc . . R
C9 C 0.4035(2) -0.0056(3) 0.6435(2) 0.0247(7) Uani 1 d . . .
H9A H 0.4457 0.0069 0.7111 0.037 Uiso 1 calc . . GR
H9B H 0.4215 -0.0704 0.6091 0.037 Uiso 1 calc . . GR
H9C H 0.3518 -0.0312 0.6483 0.037 Uiso 1 calc . . GR
B9 B 0.2555(2) 0.6059(3) 0.2861(3) 0.0181(7) Uani 1 d . . .
H9 H 0.2503 0.6110 0.2064 0.022 Uiso 1 calc . . R
C10 C 0.4715(2) 0.1624(4) 0.5747(3) 0.0279(7) Uani 1 d . . .
H10A H 0.4628 0.2441 0.5421 0.042 Uiso 1 calc . . GR
H10B H 0.4876 0.1023 0.5348 0.042 Uiso 1 calc . . GR
H10C H 0.5153 0.1686 0.6420 0.042 Uiso 1 calc . . GR
B10 B 0.3544(2) 0.5830(3) 0.3904(2) 0.0173(7) Uani 1 d . . .
H10 H 0.4134 0.5730 0.3786 0.021 Uiso 1 calc . . R
C11 C 0.32261(19) 0.0997(3) 0.4762(2) 0.0192(6) Uani 1 d . . .
H11A H 0.2715 0.0711 0.4810 0.029 Uiso 1 calc . . GR
H11B H 0.3413 0.0375 0.4403 0.029 Uiso 1 calc . . GR
H11C H 0.3126 0.1788 0.4397 0.029 Uiso 1 calc . . GR
B11 B 0.3508(2) 0.6630(4) 0.4976(3) 0.0186(7) Uani 1 d . . .
H11 H 0.4076 0.7048 0.5562 0.022 Uiso 1 calc . . R
C12 C 0.13924(18) 0.1125(3) 0.5231(2) 0.0186(6) Uani 1 d . . .
H12 H 0.1852 0.0583 0.5673 0.022 Uiso 1 calc . . R
B12 B 0.3007(2) 0.7330(3) 0.3746(3) 0.0188(7) Uani 1 d . . .
H12A H 0.3245 0.8202 0.3525 0.023 Uiso 1 calc . . R
C13 C 0.07844(19) 0.0452(3) 0.4287(2) 0.0220(7) Uani 1 d . . .
H13A H 0.0230 0.0446 0.4309 0.026 Uiso 1 calc . . R
H13B H 0.0962 -0.0423 0.4295 0.026 Uiso 1 calc . . R
C14 C 0.0730(2) 0.1089(3) 0.3281(2) 0.0227(7) Uani 1 d . . .
H14A H 0.1154 0.0720 0.3076 0.027 Uiso 1 calc . . R
H14B H 0.0184 0.0903 0.2748 0.027 Uiso 1 calc . . R
C15 C 0.08491(18) 0.2507(3) 0.3359(2) 0.0182(6) Uani 1 d . . .
H15 H 0.0954 0.2881 0.2787 0.022 Uiso 1 calc . . R
C16 C 0.04855(18) 0.3340(3) 0.3822(2) 0.0184(6) Uani 1 d . . .
H16 H 0.0387 0.4194 0.3524 0.022 Uiso 1 calc . . R
C17 C -0.01175(19) 0.2953(3) 0.4317(2) 0.0204(7) Uani 1 d . . .
H17A H -0.0406 0.2178 0.3998 0.024 Uiso 1 calc . . R
H17B H -0.0537 0.3612 0.4200 0.024 Uiso 1 calc . . R
C18 C 0.03440(19) 0.2737(3) 0.5471(2) 0.0197(7) Uani 1 d . . .
H18A H 0.0416 0.3548 0.5820 0.024 Uiso 1 calc . . R
H18B H -0.0001 0.2206 0.5710 0.024 Uiso 1 calc . . R
C19 C 0.11939(19) 0.2120(3) 0.5758(2) 0.0174(6) Uani 1 d . . .
H19 H 0.1534 0.2122 0.6497 0.021 Uiso 1 calc . . R


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
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 C1 2.156(3) . ?
Rh1 C7 2.029(3) . ?
Rh1 C12 2.197(3) . ?
Rh1 C15 2.189(3) . ?
Rh1 C16 2.231(3) . ?
Rh1 C19 2.144(3) . ?
N1 C6 1.393(4) . ?
N1 C7 1.364(4) . ?
N1 C8 1.494(4) . ?
C1 C2 1.738(4) . ?
C1 B3 1.736(5) . ?
C1 B4 1.724(4) . ?
C1 B5 1.723(4) . ?
C1 B6 1.753(4) . ?
N2 C4 1.467(4) . ?
N2 C5 1.374(4) . ?
N2 C7 1.359(4) . ?
C2 C3 1.539(4) . ?
C2 B3 1.695(4) . ?
C2 B6 1.708(4) . ?
C2 B7 1.710(5) . ?
C2 B11 1.719(4) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 C4 1.511(4) . ?
B3 H3 1.1000 . ?
B3 B4 1.768(4) . ?
B3 B7 1.786(5) . ?
B3 B8 1.798(5) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
B4 H4 1.1000 . ?
B4 B5 1.759(5) . ?
B4 B8 1.779(5) . ?
B4 B9 1.778(5) . ?
C5 H5 0.9300 . ?
C5 C6 1.339(5) . ?
B5 H5A 1.1000 . ?
B5 B6 1.770(4) . ?
B5 B9 1.783(5) . ?
B5 B10 1.790(5) . ?
C6 H6 0.9300 . ?
B6 H6A 1.1000 . ?
B6 B10 1.783(5) . ?
B6 B11 1.781(5) . ?
B7 H7 1.1000 . ?
B7 B8 1.764(5) . ?
B7 B11 1.782(5) . ?
B7 B12 1.771(5) . ?
C8 C9 1.525(4) . ?
C8 C10 1.538(4) . ?
C8 C11 1.519(4) . ?
B8 H8 1.1000 . ?
B8 B9 1.793(5) . ?
B8 B12 1.790(5) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
B9 H9 1.1000 . ?
B9 B10 1.787(5) . ?
B9 B12 1.792(5) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
B10 H10 1.1000 . ?
B10 B11 1.760(5) . ?
B10 B12 1.801(5) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
B11 H11 1.1000 . ?
B11 B12 1.776(5) . ?
C12 H12 0.9800 . ?
C12 C13 1.516(4) . ?
C12 C19 1.405(4) . ?
B12 H12A 1.1000 . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 C14 1.545(4) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 C15 1.505(5) . ?
C15 H15 0.9800 . ?
C15 C16 1.385(4) . ?
C16 H16 0.9800 . ?
C16 C17 1.521(4) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 C18 1.532(4) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 C19 1.509(4) . ?
C19 H19 0.9800 . ?

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
C1 Rh1 C12 174.22(10) . . ?
C1 Rh1 C15 96.28(11) . . ?
C1 Rh1 C16 92.83(11) . . ?
C7 Rh1 C1 88.19(11) . . ?
C7 Rh1 C12 92.75(11) . . ?
C7 Rh1 C15 159.24(12) . . ?
C7 Rh1 C16 163.84(11) . . ?
C7 Rh1 C19 89.74(11) . . ?
C12 Rh1 C16 87.86(12) . . ?
C15 Rh1 C12 80.87(12) . . ?
C15 Rh1 C16 36.50(12) . . ?
C19 Rh1 C1 148.01(11) . . ?
C19 Rh1 C12 37.74(11) . . ?
C19 Rh1 C15 96.83(12) . . ?
C19 Rh1 C16 80.87(11) . . ?
C6 N1 C8 120.6(2) . . ?
C7 N1 C6 110.2(2) . . ?
C7 N1 C8 128.9(2) . . ?
C2 C1 Rh1 122.74(16) . . ?
C2 C1 B6 58.60(17) . . ?
B3 C1 Rh1 120.58(18) . . ?
B3 C1 C2 58.40(17) . . ?
B3 C1 B6 108.6(2) . . ?
B4 C1 Rh1 122.81(19) . . ?
B4 C1 C2 106.1(2) . . ?
B4 C1 B3 61.47(18) . . ?
B4 C1 B6 110.1(2) . . ?
B5 C1 Rh1 121.57(19) . . ?
B5 C1 C2 106.4(2) . . ?
B5 C1 B3 110.8(2) . . ?
B5 C1 B4 61.39(17) . . ?
B5 C1 B6 61.24(17) . . ?
B6 C1 Rh1 119.51(18) . . ?
C5 N2 C4 125.1(2) . . ?
C7 N2 C4 122.0(2) . . ?
C7 N2 C5 111.6(2) . . ?
C3 C2 C1 123.6(2) . . ?
C3 C2 B3 116.9(2) . . ?
C3 C2 B6 121.8(2) . . ?
C3 C2 B7 114.2(2) . . ?
C3 C2 B11 117.0(2) . . ?
B3 C2 C1 60.72(18) . . ?
B3 C2 B6 112.7(2) . . ?
B3 C2 B7 63.3(2) . . ?
B3 C2 B11 114.5(2) . . ?
B6 C2 C1 61.12(17) . . ?
B6 C2 B7 114.0(2) . . ?
B6 C2 B11 62.62(19) . . ?
B7 C2 C1 112.0(2) . . ?
B7 C2 B11 62.6(2) . . ?
B11 C2 C1 111.9(2) . . ?
C2 C3 H3A 107.6 . . ?
C2 C3 H3B 107.6 . . ?
H3A C3 H3B 107.1 . . ?
C4 C3 C2 118.7(2) . . ?
C4 C3 H3A 107.6 . . ?
C4 C3 H3B 107.6 . . ?
C1 B3 H3 121.2 . . ?
C1 B3 B4 58.93(18) . . ?
C1 B3 B7 108.5(2) . . ?
C1 B3 B8 107.1(2) . . ?
C2 B3 C1 60.87(18) . . ?
C2 B3 H3 123.3 . . ?
C2 B3 B4 106.0(2) . . ?
C2 B3 B7 58.77(19) . . ?
C2 B3 B8 104.9(2) . . ?
B4 B3 H3 122.7 . . ?
B4 B3 B7 107.0(2) . . ?
B4 B3 B8 59.84(18) . . ?
B7 B3 H3 122.0 . . ?
B7 B3 B8 58.95(19) . . ?
B8 B3 H3 123.1 . . ?
N2 C4 C3 111.5(2) . . ?
N2 C4 H4A 109.3 . . ?
N2 C4 H4B 109.3 . . ?
C3 C4 H4A 109.3 . . ?
C3 C4 H4B 109.3 . . ?
H4A C4 H4B 108.0 . . ?
C1 B4 B3 59.60(17) . . ?
C1 B4 H4 122.2 . . ?
C1 B4 B5 59.27(17) . . ?
C1 B4 B8 108.5(2) . . ?
C1 B4 B9 107.9(2) . . ?
B3 B4 H4 121.5 . . ?
B3 B4 B8 60.92(19) . . ?
B3 B4 B9 108.9(2) . . ?
B5 B4 B3 107.6(2) . . ?
B5 B4 H4 121.7 . . ?
B5 B4 B8 109.0(2) . . ?
B5 B4 B9 60.55(19) . . ?
B8 B4 H4 120.7 . . ?
B9 B4 H4 121.2 . . ?
B9 B4 B8 60.53(19) . . ?
N2 C5 H5 126.6 . . ?
C6 C5 N2 106.9(3) . . ?
C6 C5 H5 126.6 . . ?
C1 B5 B4 59.34(17) . . ?
C1 B5 H5A 121.9 . . ?
C1 B5 B6 60.21(17) . . ?
C1 B5 B9 107.8(2) . . ?
C1 B5 B10 108.2(2) . . ?
B4 B5 H5A 121.9 . . ?
B4 B5 B6 107.7(2) . . ?
B4 B5 B9 60.25(19) . . ?
B4 B5 B10 108.1(2) . . ?
B6 B5 H5A 121.7 . . ?
B6 B5 B9 108.0(2) . . ?
B6 B5 B10 60.10(18) . . ?
B9 B5 H5A 121.7 . . ?
B9 B5 B10 59.99(19) . . ?
B10 B5 H5A 121.5 . . ?
N1 C6 H6 126.4 . . ?
C5 C6 N1 107.2(3) . . ?
C5 C6 H6 126.4 . . ?
C1 B6 B5 58.55(17) . . ?
C1 B6 H6A 121.7 . . ?
C1 B6 B10 107.2(2) . . ?
C1 B6 B11 108.4(2) . . ?
C2 B6 C1 60.28(17) . . ?
C2 B6 B5 105.6(2) . . ?
C2 B6 H6A 123.5 . . ?
C2 B6 B10 105.1(2) . . ?
C2 B6 B11 58.99(18) . . ?
B5 B6 H6A 122.5 . . ?
B5 B6 B10 60.51(18) . . ?
B5 B6 B11 107.7(2) . . ?
B10 B6 H6A 122.7 . . ?
B11 B6 H6A 121.7 . . ?
B11 B6 B10 59.17(19) . . ?
N1 C7 Rh1 137.4(2) . . ?
N2 C7 Rh1 118.4(2) . . ?
N2 C7 N1 104.2(2) . . ?
C2 B7 B3 57.95(18) . . ?
C2 B7 H7 124.3 . . ?
C2 B7 B8 105.8(2) . . ?
C2 B7 B11 58.95(19) . . ?
C2 B7 B12 106.0(2) . . ?
B3 B7 H7 121.7 . . ?
B8 B7 B3 60.87(19) . . ?
B8 B7 H7 121.4 . . ?
B8 B7 B11 108.4(2) . . ?
B8 B7 B12 60.9(2) . . ?
B11 B7 B3 107.2(3) . . ?
B11 B7 H7 121.9 . . ?
B12 B7 B3 109.1(2) . . ?
B12 B7 H7 121.4 . . ?
B12 B7 B11 59.98(19) . . ?
N1 C8 C9 108.0(2) . . ?
N1 C8 C10 107.6(3) . . ?
N1 C8 C11 111.4(2) . . ?
C9 C8 C10 110.8(3) . . ?
C11 C8 C9 109.9(3) . . ?
C11 C8 C10 109.1(2) . . ?
B3 B8 H8 122.2 . . ?
B4 B8 B3 59.24(18) . . ?
B4 B8 H8 122.1 . . ?
B4 B8 B9 59.70(18) . . ?
B4 B8 B12 107.8(2) . . ?
B7 B8 B3 60.18(19) . . ?
B7 B8 B4 107.5(2) . . ?
B7 B8 H8 121.9 . . ?
B7 B8 B9 107.5(2) . . ?
B7 B8 B12 59.8(2) . . ?
B9 B8 B3 106.9(2) . . ?
B9 B8 H8 122.2 . . ?
B12 B8 B3 107.7(2) . . ?
B12 B8 H8 121.7 . . ?
B12 B8 B9 60.0(2) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
B4 B9 B5 59.21(18) . . ?
B4 B9 B8 59.77(18) . . ?
B4 B9 H9 122.3 . . ?
B4 B9 B10 107.4(2) . . ?
B4 B9 B12 107.8(2) . . ?
B5 B9 B8 107.3(2) . . ?
B5 B9 H9 121.9 . . ?
B5 B9 B10 60.20(19) . . ?
B5 B9 B12 108.4(2) . . ?
B8 B9 H9 122.0 . . ?
B10 B9 B8 108.0(2) . . ?
B10 B9 H9 121.6 . . ?
B10 B9 B12 60.4(2) . . ?
B12 B9 B8 59.9(2) . . ?
B12 B9 H9 121.4 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
B5 B10 H10 122.1 . . ?
B5 B10 B12 107.7(2) . . ?
B6 B10 B5 59.39(18) . . ?
B6 B10 B9 107.3(2) . . ?
B6 B10 H10 122.0 . . ?
B6 B10 B12 107.8(2) . . ?
B9 B10 B5 59.80(19) . . ?
B9 B10 H10 122.0 . . ?
B9 B10 B12 59.9(2) . . ?
B11 B10 B5 107.8(2) . . ?
B11 B10 B6 60.36(19) . . ?
B11 B10 B9 107.7(2) . . ?
B11 B10 H10 121.7 . . ?
B11 B10 B12 59.8(2) . . ?
B12 B10 H10 121.8 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C2 B11 B6 58.39(18) . . ?
C2 B11 B7 58.44(19) . . ?
C2 B11 B10 105.7(2) . . ?
C2 B11 H11 124.6 . . ?
C2 B11 B12 105.4(2) . . ?
B6 B11 B7 107.1(2) . . ?
B6 B11 H11 121.6 . . ?
B7 B11 H11 122.1 . . ?
B10 B11 B6 60.47(19) . . ?
B10 B11 B7 108.4(2) . . ?
B10 B11 H11 121.4 . . ?
B10 B11 B12 61.2(2) . . ?
B12 B11 B6 109.0(2) . . ?
B12 B11 B7 59.72(19) . . ?
B12 B11 H11 121.5 . . ?
Rh1 C12 H12 113.6 . . ?
C13 C12 Rh1 112.52(19) . . ?
C13 C12 H12 113.6 . . ?
C19 C12 Rh1 69.06(17) . . ?
C19 C12 H12 113.6 . . ?
C19 C12 C13 126.1(3) . . ?
B7 B12 B8 59.36(19) . . ?
B7 B12 B9 107.2(2) . . ?
B7 B12 B10 107.1(2) . . ?
B7 B12 B11 60.30(19) . . ?
B7 B12 H12A 122.1 . . ?
B8 B12 B9 60.05(19) . . ?
B8 B12 B10 107.4(2) . . ?
B8 B12 H12A 121.9 . . ?
B9 B12 B10 59.63(19) . . ?
B9 B12 H12A 122.2 . . ?
B10 B12 H12A 122.4 . . ?
B11 B12 B8 107.5(2) . . ?
B11 B12 B9 106.8(2) . . ?
B11 B12 B10 58.93(19) . . ?
B11 B12 H12A 122.3 . . ?
C12 C13 H13A 109.1 . . ?
C12 C13 H13B 109.1 . . ?
C12 C13 C14 112.5(2) . . ?
H13A C13 H13B 107.8 . . ?
C14 C13 H13A 109.1 . . ?
C14 C13 H13B 109.1 . . ?
C13 C14 H14A 108.8 . . ?
C13 C14 H14B 108.8 . . ?
H14A C14 H14B 107.7 . . ?
C15 C14 C13 113.9(2) . . ?
C15 C14 H14A 108.8 . . ?
C15 C14 H14B 108.8 . . ?
Rh1 C15 H15 113.7 . . ?
C14 C15 Rh1 108.5(2) . . ?
C14 C15 H15 113.7 . . ?
C16 C15 Rh1 73.38(17) . . ?
C16 C15 C14 126.0(3) . . ?
C16 C15 H15 113.7 . . ?
Rh1 C16 H16 114.2 . . ?
C15 C16 Rh1 70.12(17) . . ?
C15 C16 H16 114.2 . . ?
C15 C16 C17 124.6(3) . . ?
C17 C16 Rh1 111.09(19) . . ?
C17 C16 H16 114.2 . . ?
C16 C17 H17A 109.3 . . ?
C16 C17 H17B 109.3 . . ?
C16 C17 C18 111.6(2) . . ?
H17A C17 H17B 108.0 . . ?
C18 C17 H17A 109.3 . . ?
C18 C17 H17B 109.3 . . ?
C17 C18 H18A 108.9 . . ?
C17 C18 H18B 108.9 . . ?
H18A C18 H18B 107.7 . . ?
C19 C18 C17 113.4(2) . . ?
C19 C18 H18A 108.9 . . ?
C19 C18 H18B 108.9 . . ?
Rh1 C19 H19 113.6 . . ?
C12 C19 Rh1 73.19(16) . . ?
C12 C19 C18 126.3(3) . . ?
C12 C19 H19 113.6 . . ?
C18 C19 Rh1 108.8(2) . . ?
C18 C19 H19 113.6 . . ?

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
Rh1 C1 C2 C3 -3.8(4) . . . . ?
Rh1 C1 C2 B3 -108.3(2) . . . . ?
Rh1 C1 C2 B6 107.1(2) . . . . ?
Rh1 C1 C2 B7 -146.8(2) . . . . ?
Rh1 C1 C2 B11 145.0(2) . . . . ?
Rh1 C1 B3 C2 112.0(2) . . . . ?
Rh1 C1 B3 B4 -113.3(2) . . . . ?
Rh1 C1 B3 B7 147.59(19) . . . . ?
Rh1 C1 B3 B8 -150.17(19) . . . . ?
Rh1 C1 B4 B3 109.8(2) . . . . ?
Rh1 C1 B4 B5 -111.0(2) . . . . ?
Rh1 C1 B4 B8 147.5(2) . . . . ?
Rh1 C1 B4 B9 -148.4(2) . . . . ?
Rh1 C1 B5 B4 112.9(2) . . . . ?
Rh1 C1 B5 B6 -108.8(2) . . . . ?
Rh1 C1 B5 B9 150.2(2) . . . . ?
Rh1 C1 B5 B10 -146.4(2) . . . . ?
Rh1 C1 B6 C2 -112.5(2) . . . . ?
Rh1 C1 B6 B5 112.1(2) . . . . ?
Rh1 C1 B6 B10 149.58(19) . . . . ?
Rh1 C1 B6 B11 -147.97(19) . . . . ?
Rh1 C12 C13 C14 10.3(3) . . . . ?
Rh1 C12 C19 C18 101.4(3) . . . . ?
Rh1 C15 C16 C17 -102.4(3) . . . . ?
Rh1 C16 C17 C18 14.7(3) . . . . ?
C1 Rh1 C7 N1 -104.8(3) . . . . ?
C1 Rh1 C7 N2 73.7(2) . . . . ?
C1 Rh1 C12 C13 -53.1(12) . . . . ?
C1 Rh1 C12 C19 -174.7(10) . . . . ?
C1 Rh1 C15 C14 150.56(19) . . . . ?
C1 Rh1 C15 C16 -86.25(19) . . . . ?
C1 Rh1 C16 C15 96.74(19) . . . . ?
C1 Rh1 C16 C17 -142.7(2) . . . . ?
C1 Rh1 C19 C12 179.00(19) . . . . ?
C1 Rh1 C19 C18 55.6(3) . . . . ?
C1 C2 C3 C4 4.7(4) . . . . ?
C1 C2 B3 B4 -39.3(2) . . . . ?
C1 C2 B3 B7 -139.8(2) . . . . ?
C1 C2 B3 B8 -101.6(2) . . . . ?
C1 C2 B6 B5 38.4(2) . . . . ?
C1 C2 B6 B10 101.4(2) . . . . ?
C1 C2 B6 B11 140.0(2) . . . . ?
C1 C2 B7 B3 37.4(2) . . . . ?
C1 C2 B7 B8 -1.9(3) . . . . ?
C1 C2 B7 B11 -104.1(2) . . . . ?
C1 C2 B7 B12 -65.4(3) . . . . ?
C1 C2 B11 B6 -37.3(2) . . . . ?
C1 C2 B11 B7 104.3(2) . . . . ?
C1 C2 B11 B10 2.0(3) . . . . ?
C1 C2 B11 B12 65.8(3) . . . . ?
C1 B3 B4 B5 -36.1(2) . . . . ?
C1 B3 B4 B8 -138.4(2) . . . . ?
C1 B3 B4 B9 -100.2(2) . . . . ?
C1 B3 B7 C2 -36.5(2) . . . . ?
C1 B3 B7 B8 99.3(2) . . . . ?
C1 B3 B7 B11 -2.6(3) . . . . ?
C1 B3 B7 B12 60.8(3) . . . . ?
C1 B3 B8 B4 36.5(2) . . . . ?
C1 B3 B8 B7 -101.7(2) . . . . ?
C1 B3 B8 B9 -0.9(3) . . . . ?
C1 B3 B8 B12 -64.1(3) . . . . ?
C1 B4 B5 B6 -37.3(2) . . . . ?
C1 B4 B5 B9 -138.4(2) . . . . ?
C1 B4 B5 B10 -100.8(2) . . . . ?
C1 B4 B8 B3 -37.1(2) . . . . ?
C1 B4 B8 B7 0.2(3) . . . . ?
C1 B4 B8 B9 100.6(2) . . . . ?
C1 B4 B8 B12 63.3(3) . . . . ?
C1 B4 B9 B5 36.9(2) . . . . ?
C1 B4 B9 B8 -101.6(2) . . . . ?
C1 B4 B9 B10 -0.6(3) . . . . ?
C1 B4 B9 B12 -64.3(3) . . . . ?
C1 B5 B6 C2 -39.2(2) . . . . ?
C1 B5 B6 B10 -138.0(2) . . . . ?
C1 B5 B6 B11 -101.1(2) . . . . ?
C1 B5 B9 B4 -36.9(2) . . . . ?
C1 B5 B9 B8 0.0(3) . . . . ?
C1 B5 B9 B10 101.1(2) . . . . ?
C1 B5 B9 B12 63.3(3) . . . . ?
C1 B5 B10 B6 37.6(2) . . . . ?
C1 B5 B10 B9 -100.4(2) . . . . ?
C1 B5 B10 B11 0.1(3) . . . . ?
C1 B5 B10 B12 -63.0(3) . . . . ?
C1 B6 B10 B5 -36.7(2) . . . . ?
C1 B6 B10 B9 0.6(3) . . . . ?
C1 B6 B10 B11 101.5(2) . . . . ?
C1 B6 B10 B12 63.7(3) . . . . ?
C1 B6 B11 C2 36.0(2) . . . . ?
C1 B6 B11 B7 2.4(3) . . . . ?
C1 B6 B11 B10 -99.5(2) . . . . ?
C1 B6 B11 B12 -60.7(3) . . . . ?
N2 C5 C6 N1 0.8(3) . . . . ?
C2 C1 B3 B4 134.8(2) . . . . ?
C2 C1 B3 B7 35.6(2) . . . . ?
C2 C1 B3 B8 97.9(2) . . . . ?
C2 C1 B4 B3 -39.0(2) . . . . ?
C2 C1 B4 B5 100.2(2) . . . . ?
C2 C1 B4 B8 -1.3(3) . . . . ?
C2 C1 B4 B9 62.8(3) . . . . ?
C2 C1 B5 B4 -99.7(2) . . . . ?
C2 C1 B5 B6 38.6(2) . . . . ?
C2 C1 B5 B9 -62.4(3) . . . . ?
C2 C1 B5 B10 1.0(3) . . . . ?
C2 C1 B6 B5 -135.5(2) . . . . ?
C2 C1 B6 B10 -97.9(2) . . . . ?
C2 C1 B6 B11 -35.5(2) . . . . ?
C2 C3 C4 N2 67.5(3) . . . . ?
C2 B3 B4 C1 40.2(2) . . . . ?
C2 B3 B4 B5 4.1(3) . . . . ?
C2 B3 B4 B8 -98.2(3) . . . . ?
C2 B3 B4 B9 -60.0(3) . . . . ?
C2 B3 B7 B8 135.8(2) . . . . ?
C2 B3 B7 B11 33.9(2) . . . . ?
C2 B3 B7 B12 97.3(3) . . . . ?
C2 B3 B8 B4 100.1(2) . . . . ?
C2 B3 B8 B7 -38.1(2) . . . . ?
C2 B3 B8 B9 62.7(3) . . . . ?
C2 B3 B8 B12 -0.5(3) . . . . ?
C2 B6 B10 B5 -99.7(2) . . . . ?
C2 B6 B10 B9 -62.4(3) . . . . ?
C2 B6 B10 B11 38.5(2) . . . . ?
C2 B6 B10 B12 0.7(3) . . . . ?
C2 B6 B11 B7 -33.6(2) . . . . ?
C2 B6 B11 B10 -135.5(2) . . . . ?
C2 B6 B11 B12 -96.7(3) . . . . ?
C2 B7 B8 B3 37.9(2) . . . . ?
C2 B7 B8 B4 1.0(3) . . . . ?
C2 B7 B8 B9 -62.0(3) . . . . ?
C2 B7 B8 B12 -99.8(3) . . . . ?
C2 B7 B11 B6 33.6(2) . . . . ?
C2 B7 B11 B10 97.4(3) . . . . ?
C2 B7 B11 B12 136.0(3) . . . . ?
C2 B7 B12 B8 99.5(3) . . . . ?
C2 B7 B12 B9 61.7(3) . . . . ?
C2 B7 B12 B10 -1.0(3) . . . . ?
C2 B7 B12 B11 -38.2(2) . . . . ?
C2 B11 B12 B7 37.9(2) . . . . ?
C2 B11 B12 B8 0.5(3) . . . . ?
C2 B11 B12 B9 -62.7(3) . . . . ?
C2 B11 B12 B10 -99.7(3) . . . . ?
C3 C2 B3 C1 -115.2(3) . . . . ?
C3 C2 B3 B4 -154.5(3) . . . . ?
C3 C2 B3 B7 105.0(3) . . . . ?
C3 C2 B3 B8 143.2(3) . . . . ?
C3 C2 B6 C1 113.6(3) . . . . ?
C3 C2 B6 B5 152.1(3) . . . . ?
C3 C2 B6 B10 -144.9(3) . . . . ?
C3 C2 B6 B11 -106.3(3) . . . . ?
C3 C2 B7 B3 -109.3(3) . . . . ?
C3 C2 B7 B8 -148.5(2) . . . . ?
C3 C2 B7 B11 109.2(3) . . . . ?
C3 C2 B7 B12 147.9(2) . . . . ?
C3 C2 B11 B6 113.7(3) . . . . ?
C3 C2 B11 B7 -104.7(3) . . . . ?
C3 C2 B11 B10 153.0(3) . . . . ?
C3 C2 B11 B12 -143.2(3) . . . . ?
B3 C1 C2 C3 104.6(3) . . . . ?
B3 C1 C2 B6 -144.6(2) . . . . ?
B3 C1 C2 B7 -38.5(2) . . . . ?
B3 C1 C2 B11 -106.6(3) . . . . ?
B3 C1 B4 B5 139.3(2) . . . . ?
B3 C1 B4 B8 37.7(2) . . . . ?
B3 C1 B4 B9 101.8(3) . . . . ?
B3 C1 B5 B4 -37.8(2) . . . . ?
B3 C1 B5 B6 100.4(2) . . . . ?
B3 C1 B5 B9 -0.6(3) . . . . ?
B3 C1 B5 B10 62.8(3) . . . . ?
B3 C1 B6 C2 31.4(2) . . . . ?
B3 C1 B6 B5 -104.1(2) . . . . ?
B3 C1 B6 B10 -66.5(3) . . . . ?
B3 C1 B6 B11 -4.1(3) . . . . ?
B3 C2 C3 C4 76.0(3) . . . . ?
B3 C2 B6 C1 -33.2(2) . . . . ?
B3 C2 B6 B5 5.2(3) . . . . ?
B3 C2 B6 B10 68.2(3) . . . . ?
B3 C2 B6 B11 106.8(3) . . . . ?
B3 C2 B7 B8 -39.3(2) . . . . ?
B3 C2 B7 B11 -141.6(2) . . . . ?
B3 C2 B7 B12 -102.8(2) . . . . ?
B3 C2 B11 B6 -104.0(3) . . . . ?
B3 C2 B11 B7 37.6(2) . . . . ?
B3 C2 B11 B10 -64.7(3) . . . . ?
B3 C2 B11 B12 -0.9(3) . . . . ?
B3 B4 B5 C1 36.2(2) . . . . ?
B3 B4 B5 B6 -1.1(3) . . . . ?
B3 B4 B5 B9 -102.1(3) . . . . ?
B3 B4 B5 B10 -64.6(3) . . . . ?
B3 B4 B8 B7 37.4(2) . . . . ?
B3 B4 B8 B9 137.7(2) . . . . ?
B3 B4 B8 B12 100.4(3) . . . . ?
B3 B4 B9 B5 100.1(2) . . . . ?
B3 B4 B9 B8 -38.4(2) . . . . ?
B3 B4 B9 B10 62.6(3) . . . . ?
B3 B4 B9 B12 -1.2(3) . . . . ?
B3 B7 B8 B4 -36.9(2) . . . . ?
B3 B7 B8 B9 -99.9(2) . . . . ?
B3 B7 B8 B12 -137.7(2) . . . . ?
B3 B7 B11 C2 -33.5(2) . . . . ?
B3 B7 B11 B6 0.1(3) . . . . ?
B3 B7 B11 B10 63.9(3) . . . . ?
B3 B7 B11 B12 102.5(3) . . . . ?
B3 B7 B12 B8 38.5(2) . . . . ?
B3 B7 B12 B9 0.7(3) . . . . ?
B3 B7 B12 B10 -62.0(3) . . . . ?
B3 B7 B12 B11 -99.2(3) . . . . ?
B3 B8 B9 B4 37.2(2) . . . . ?
B3 B8 B9 B5 0.6(3) . . . . ?
B3 B8 B9 B10 -63.0(3) . . . . ?
B3 B8 B9 B12 -101.1(3) . . . . ?
B3 B8 B12 B7 -37.8(2) . . . . ?
B3 B8 B12 B9 99.7(2) . . . . ?
B3 B8 B12 B10 62.1(3) . . . . ?
B3 B8 B12 B11 0.0(3) . . . . ?
C4 N2 C5 C6 -168.0(3) . . . . ?
C4 N2 C7 Rh1 -10.7(3) . . . . ?
C4 N2 C7 N1 168.2(2) . . . . ?
B4 C1 C2 C3 145.1(3) . . . . ?
B4 C1 C2 B3 40.5(2) . . . . ?
B4 C1 C2 B6 -104.1(2) . . . . ?
B4 C1 C2 B7 2.0(3) . . . . ?
B4 C1 C2 B11 -66.1(3) . . . . ?
B4 C1 B3 C2 -134.8(2) . . . . ?
B4 C1 B3 B7 -99.1(2) . . . . ?
B4 C1 B3 B8 -36.9(2) . . . . ?
B4 C1 B5 B6 138.3(2) . . . . ?
B4 C1 B5 B9 37.3(2) . . . . ?
B4 C1 B5 B10 100.7(3) . . . . ?
B4 C1 B6 C2 97.0(2) . . . . ?
B4 C1 B6 B5 -38.5(2) . . . . ?
B4 C1 B6 B10 -0.9(3) . . . . ?
B4 C1 B6 B11 61.5(3) . . . . ?
B4 B3 B7 C2 -98.7(2) . . . . ?
B4 B3 B7 B8 37.1(2) . . . . ?
B4 B3 B7 B11 -64.8(3) . . . . ?
B4 B3 B7 B12 -1.4(3) . . . . ?
B4 B3 B8 B7 -138.2(2) . . . . ?
B4 B3 B8 B9 -37.4(2) . . . . ?
B4 B3 B8 B12 -100.6(3) . . . . ?
B4 B5 B6 C1 36.9(2) . . . . ?
B4 B5 B6 C2 -2.3(3) . . . . ?
B4 B5 B6 B10 -101.1(3) . . . . ?
B4 B5 B6 B11 -64.1(3) . . . . ?
B4 B5 B9 B8 36.9(2) . . . . ?
B4 B5 B9 B10 138.0(2) . . . . ?
B4 B5 B9 B12 100.2(2) . . . . ?
B4 B5 B10 B6 100.4(2) . . . . ?
B4 B5 B10 B9 -37.7(2) . . . . ?
B4 B5 B10 B11 62.9(3) . . . . ?
B4 B5 B10 B12 -0.2(3) . . . . ?
B4 B8 B9 B5 -36.6(2) . . . . ?
B4 B8 B9 B10 -100.1(2) . . . . ?
B4 B8 B9 B12 -138.2(2) . . . . ?
B4 B8 B12 B7 -100.3(3) . . . . ?
B4 B8 B12 B9 37.2(2) . . . . ?
B4 B8 B12 B10 -0.5(3) . . . . ?
B4 B8 B12 B11 -62.5(3) . . . . ?
B4 B9 B10 B5 37.0(2) . . . . ?
B4 B9 B10 B6 0.0(3) . . . . ?
B4 B9 B10 B11 -63.6(3) . . . . ?
B4 B9 B10 B12 -100.9(3) . . . . ?
B4 B9 B12 B7 0.3(3) . . . . ?
B4 B9 B12 B8 -37.2(2) . . . . ?
B4 B9 B12 B10 100.4(2) . . . . ?
B4 B9 B12 B11 63.7(3) . . . . ?
C5 N2 C4 C3 76.7(3) . . . . ?
C5 N2 C7 Rh1 -178.1(2) . . . . ?
C5 N2 C7 N1 0.8(3) . . . . ?
B5 C1 C2 C3 -150.7(3) . . . . ?
B5 C1 C2 B3 104.7(2) . . . . ?
B5 C1 C2 B6 -39.9(2) . . . . ?
B5 C1 C2 B7 66.2(3) . . . . ?
B5 C1 C2 B11 -1.9(3) . . . . ?
B5 C1 B3 C2 -96.9(2) . . . . ?
B5 C1 B3 B4 37.8(2) . . . . ?
B5 C1 B3 B7 -61.3(3) . . . . ?
B5 C1 B3 B8 0.9(3) . . . . ?
B5 C1 B4 B3 -139.3(2) . . . . ?
B5 C1 B4 B8 -101.6(2) . . . . ?
B5 C1 B4 B9 -37.5(2) . . . . ?
B5 C1 B6 C2 135.5(2) . . . . ?
B5 C1 B6 B10 37.5(2) . . . . ?
B5 C1 B6 B11 100.0(2) . . . . ?
B5 B4 B8 B3 -100.1(2) . . . . ?
B5 B4 B8 B7 -62.7(3) . . . . ?
B5 B4 B8 B9 37.6(2) . . . . ?
B5 B4 B8 B12 0.3(3) . . . . ?
B5 B4 B9 B8 -138.5(2) . . . . ?
B5 B4 B9 B10 -37.5(2) . . . . ?
B5 B4 B9 B12 -101.2(2) . . . . ?
B5 B6 B10 B9 37.2(2) . . . . ?
B5 B6 B10 B11 138.2(2) . . . . ?
B5 B6 B10 B12 100.4(3) . . . . ?
B5 B6 B11 C2 97.9(2) . . . . ?
B5 B6 B11 B7 64.3(3) . . . . ?
B5 B6 B11 B10 -37.6(2) . . . . ?
B5 B6 B11 B12 1.2(3) . . . . ?
B5 B9 B10 B6 -37.0(2) . . . . ?
B5 B9 B10 B11 -100.7(2) . . . . ?
B5 B9 B10 B12 -138.0(2) . . . . ?
B5 B9 B12 B7 -62.3(3) . . . . ?
B5 B9 B12 B8 -99.8(2) . . . . ?
B5 B9 B12 B10 37.7(2) . . . . ?
B5 B9 B12 B11 1.0(3) . . . . ?
B5 B10 B11 C2 -1.3(3) . . . . ?
B5 B10 B11 B6 37.1(2) . . . . ?
B5 B10 B11 B7 -62.6(3) . . . . ?
B5 B10 B11 B12 -100.5(3) . . . . ?
B5 B10 B12 B7 62.9(3) . . . . ?
B5 B10 B12 B8 0.4(3) . . . . ?
B5 B10 B12 B9 -37.4(2) . . . . ?
B5 B10 B12 B11 100.7(2) . . . . ?
C6 N1 C7 Rh1 178.3(2) . . . . ?
C6 N1 C7 N2 -0.3(3) . . . . ?
C6 N1 C8 C9 66.9(3) . . . . ?
C6 N1 C8 C10 -52.8(3) . . . . ?
C6 N1 C8 C11 -172.2(3) . . . . ?
B6 C1 C2 C3 -110.8(3) . . . . ?
B6 C1 C2 B3 144.6(2) . . . . ?
B6 C1 C2 B7 106.1(2) . . . . ?
B6 C1 C2 B11 38.0(2) . . . . ?
B6 C1 B3 C2 -31.5(2) . . . . ?
B6 C1 B3 B4 103.3(2) . . . . ?
B6 C1 B3 B7 4.2(3) . . . . ?
B6 C1 B3 B8 66.4(3) . . . . ?
B6 C1 B4 B3 -100.8(2) . . . . ?
B6 C1 B4 B5 38.4(2) . . . . ?
B6 C1 B4 B8 -63.1(3) . . . . ?
B6 C1 B4 B9 1.0(3) . . . . ?
B6 C1 B5 B4 -138.3(2) . . . . ?
B6 C1 B5 B9 -101.0(2) . . . . ?
B6 C1 B5 B10 -37.6(2) . . . . ?
B6 C2 C3 C4 -69.5(4) . . . . ?
B6 C2 B3 C1 33.4(2) . . . . ?
B6 C2 B3 B4 -5.9(3) . . . . ?
B6 C2 B3 B7 -106.4(2) . . . . ?
B6 C2 B3 B8 -68.2(3) . . . . ?
B6 C2 B7 B3 104.4(2) . . . . ?
B6 C2 B7 B8 65.2(3) . . . . ?
B6 C2 B7 B11 -37.1(2) . . . . ?
B6 C2 B7 B12 1.6(3) . . . . ?
B6 C2 B11 B7 141.6(2) . . . . ?
B6 C2 B11 B10 39.3(2) . . . . ?
B6 C2 B11 B12 103.2(3) . . . . ?
B6 B5 B9 B4 -100.5(2) . . . . ?
B6 B5 B9 B8 -63.6(3) . . . . ?
B6 B5 B9 B10 37.5(2) . . . . ?
B6 B5 B9 B12 -0.3(3) . . . . ?
B6 B5 B10 B9 -138.1(2) . . . . ?
B6 B5 B10 B11 -37.5(2) . . . . ?
B6 B5 B10 B12 -100.6(2) . . . . ?
B6 B10 B11 C2 -38.3(2) . . . . ?
B6 B10 B11 B7 -99.7(3) . . . . ?
B6 B10 B11 B12 -137.6(2) . . . . ?
B6 B10 B12 B7 0.2(3) . . . . ?
B6 B10 B12 B8 -62.3(3) . . . . ?
B6 B10 B12 B9 -100.1(2) . . . . ?
B6 B10 B12 B11 38.0(2) . . . . ?
B6 B11 B12 B7 99.2(3) . . . . ?
B6 B11 B12 B8 61.8(3) . . . . ?
B6 B11 B12 B9 -1.4(3) . . . . ?
B6 B11 B12 B10 -38.4(2) . . . . ?
C7 Rh1 C1 C2 -48.6(2) . . . . ?
C7 Rh1 C1 B3 -118.5(2) . . . . ?
C7 Rh1 C1 B4 167.7(2) . . . . ?
C7 Rh1 C1 B5 93.5(2) . . . . ?
C7 Rh1 C1 B6 21.0(2) . . . . ?
C7 Rh1 C12 C13 -152.4(2) . . . . ?
C7 Rh1 C12 C19 86.02(19) . . . . ?
C7 Rh1 C15 C14 49.0(4) . . . . ?
C7 Rh1 C15 C16 172.2(3) . . . . ?
C7 Rh1 C16 C15 -170.0(4) . . . . ?
C7 Rh1 C16 C17 -49.4(5) . . . . ?
C7 Rh1 C19 C12 -94.83(19) . . . . ?
C7 Rh1 C19 C18 141.8(2) . . . . ?
C7 N1 C6 C5 -0.3(3) . . . . ?
C7 N1 C8 C9 -119.8(3) . . . . ?
C7 N1 C8 C10 120.5(3) . . . . ?
C7 N1 C8 C11 1.0(4) . . . . ?
C7 N2 C4 C3 -88.9(3) . . . . ?
C7 N2 C5 C6 -1.0(3) . . . . ?
B7 C2 C3 C4 147.1(3) . . . . ?
B7 C2 B3 C1 139.8(2) . . . . ?
B7 C2 B3 B4 100.5(2) . . . . ?
B7 C2 B3 B8 38.2(2) . . . . ?
B7 C2 B6 C1 -102.9(2) . . . . ?
B7 C2 B6 B5 -64.5(3) . . . . ?
B7 C2 B6 B10 -1.5(3) . . . . ?
B7 C2 B6 B11 37.1(2) . . . . ?
B7 C2 B11 B6 -141.6(2) . . . . ?
B7 C2 B11 B10 -102.3(3) . . . . ?
B7 C2 B11 B12 -38.5(2) . . . . ?
B7 B3 B4 C1 101.7(2) . . . . ?
B7 B3 B4 B5 65.7(3) . . . . ?
B7 B3 B4 B8 -36.7(2) . . . . ?
B7 B3 B4 B9 1.6(3) . . . . ?
B7 B3 B8 B4 138.2(2) . . . . ?
B7 B3 B8 B9 100.8(3) . . . . ?
B7 B3 B8 B12 37.6(2) . . . . ?
B7 B8 B9 B4 100.5(3) . . . . ?
B7 B8 B9 B5 63.9(3) . . . . ?
B7 B8 B9 B10 0.4(3) . . . . ?
B7 B8 B9 B12 -37.7(2) . . . . ?
B7 B8 B12 B9 137.5(3) . . . . ?
B7 B8 B12 B10 99.9(3) . . . . ?
B7 B8 B12 B11 37.8(2) . . . . ?
B7 B11 B12 B8 -37.4(2) . . . . ?
B7 B11 B12 B9 -100.5(3) . . . . ?
B7 B11 B12 B10 -137.5(3) . . . . ?
C8 N1 C6 C5 174.1(3) . . . . ?
C8 N1 C7 Rh1 4.5(5) . . . . ?
C8 N1 C7 N2 -174.1(3) . . . . ?
B8 B3 B4 C1 138.4(2) . . . . ?
B8 B3 B4 B5 102.4(3) . . . . ?
B8 B3 B4 B9 38.2(2) . . . . ?
B8 B3 B7 C2 -135.8(2) . . . . ?
B8 B3 B7 B11 -101.9(3) . . . . ?
B8 B3 B7 B12 -38.5(2) . . . . ?
B8 B4 B5 C1 100.7(2) . . . . ?
B8 B4 B5 B6 63.4(3) . . . . ?
B8 B4 B5 B9 -37.6(2) . . . . ?
B8 B4 B5 B10 -0.1(3) . . . . ?
B8 B4 B9 B5 138.5(2) . . . . ?
B8 B4 B9 B10 101.0(3) . . . . ?
B8 B4 B9 B12 37.3(2) . . . . ?
B8 B7 B11 C2 -97.7(3) . . . . ?
B8 B7 B11 B6 -64.1(3) . . . . ?
B8 B7 B11 B10 -0.3(3) . . . . ?
B8 B7 B11 B12 38.3(2) . . . . ?
B8 B7 B12 B9 -37.8(2) . . . . ?
B8 B7 B12 B10 -100.5(3) . . . . ?
B8 B7 B12 B11 -137.7(3) . . . . ?
B8 B9 B10 B5 100.1(2) . . . . ?
B8 B9 B10 B6 63.1(3) . . . . ?
B8 B9 B10 B11 -0.6(3) . . . . ?
B8 B9 B10 B12 -37.9(2) . . . . ?
B8 B9 B12 B7 37.5(2) . . . . ?
B8 B9 B12 B10 137.6(2) . . . . ?
B8 B9 B12 B11 100.8(3) . . . . ?
B9 B4 B5 C1 138.4(2) . . . . ?
B9 B4 B5 B6 101.0(2) . . . . ?
B9 B4 B5 B10 37.5(2) . . . . ?
B9 B4 B8 B3 -137.7(2) . . . . ?
B9 B4 B8 B7 -100.4(3) . . . . ?
B9 B4 B8 B12 -37.3(2) . . . . ?
B9 B5 B6 C1 100.6(2) . . . . ?
B9 B5 B6 C2 61.3(3) . . . . ?
B9 B5 B6 B10 -37.5(2) . . . . ?
B9 B5 B6 B11 -0.5(3) . . . . ?
B9 B5 B10 B6 138.1(2) . . . . ?
B9 B5 B10 B11 100.6(3) . . . . ?
B9 B5 B10 B12 37.4(2) . . . . ?
B9 B8 B12 B7 -137.5(3) . . . . ?
B9 B8 B12 B10 -37.6(2) . . . . ?
B9 B8 B12 B11 -99.7(3) . . . . ?
B9 B10 B11 C2 61.9(3) . . . . ?
B9 B10 B11 B6 100.2(2) . . . . ?
B9 B10 B11 B7 0.5(3) . . . . ?
B9 B10 B11 B12 -37.4(2) . . . . ?
B9 B10 B12 B7 100.3(3) . . . . ?
B9 B10 B12 B8 37.8(2) . . . . ?
B9 B10 B12 B11 138.1(2) . . . . ?
B10 B5 B6 C1 138.0(2) . . . . ?
B10 B5 B6 C2 98.8(2) . . . . ?
B10 B5 B6 B11 37.0(2) . . . . ?
B10 B5 B9 B4 -138.0(2) . . . . ?
B10 B5 B9 B8 -101.2(3) . . . . ?
B10 B5 B9 B12 -37.9(2) . . . . ?
B10 B6 B11 C2 135.5(2) . . . . ?
B10 B6 B11 B7 101.9(3) . . . . ?
B10 B6 B11 B12 38.7(2) . . . . ?
B10 B9 B12 B7 -100.1(3) . . . . ?
B10 B9 B12 B8 -137.6(2) . . . . ?
B10 B9 B12 B11 -36.7(2) . . . . ?
B10 B11 B12 B7 137.5(3) . . . . ?
B10 B11 B12 B8 100.2(3) . . . . ?
B10 B11 B12 B9 37.0(2) . . . . ?
B11 C2 C3 C4 -142.6(3) . . . . ?
B11 C2 B3 C1 102.4(3) . . . . ?
B11 C2 B3 B4 63.2(3) . . . . ?
B11 C2 B3 B7 -37.3(2) . . . . ?
B11 C2 B3 B8 0.9(3) . . . . ?
B11 C2 B6 C1 -140.0(2) . . . . ?
B11 C2 B6 B5 -101.6(2) . . . . ?
B11 C2 B6 B10 -38.6(2) . . . . ?
B11 C2 B7 B3 141.6(2) . . . . ?
B11 C2 B7 B8 102.3(3) . . . . ?
B11 C2 B7 B12 38.7(2) . . . . ?
B11 B6 B10 B5 -138.2(2) . . . . ?
B11 B6 B10 B9 -101.0(3) . . . . ?
B11 B6 B10 B12 -37.8(2) . . . . ?
B11 B7 B8 B3 99.8(3) . . . . ?
B11 B7 B8 B4 62.9(3) . . . . ?
B11 B7 B8 B9 0.0(3) . . . . ?
B11 B7 B8 B12 -37.9(2) . . . . ?
B11 B7 B12 B8 137.7(3) . . . . ?
B11 B7 B12 B9 99.9(3) . . . . ?
B11 B7 B12 B10 37.2(2) . . . . ?
B11 B10 B12 B7 -37.8(2) . . . . ?
B11 B10 B12 B8 -100.3(3) . . . . ?
B11 B10 B12 B9 -138.1(2) . . . . ?
C12 Rh1 C1 C2 -148.1(10) . . . . ?
C12 Rh1 C1 B3 142.0(10) . . . . ?
C12 Rh1 C1 B4 68.2(11) . . . . ?
C12 Rh1 C1 B5 -6.0(12) . . . . ?
C12 Rh1 C1 B6 -78.4(11) . . . . ?
C12 Rh1 C7 N1 69.5(3) . . . . ?
C12 Rh1 C7 N2 -112.1(2) . . . . ?
C12 Rh1 C15 C14 -24.36(19) . . . . ?
C12 Rh1 C15 C16 98.83(19) . . . . ?
C12 Rh1 C16 C15 -77.5(2) . . . . ?
C12 Rh1 C16 C17 43.0(2) . . . . ?
C12 Rh1 C19 C18 -123.4(3) . . . . ?
C12 C13 C14 C15 -32.5(4) . . . . ?
B12 B7 B8 B3 137.7(2) . . . . ?
B12 B7 B8 B4 100.8(3) . . . . ?
B12 B7 B8 B9 37.9(2) . . . . ?
B12 B7 B11 C2 -136.0(3) . . . . ?
B12 B7 B11 B6 -102.4(3) . . . . ?
B12 B7 B11 B10 -38.6(2) . . . . ?
B12 B8 B9 B4 138.2(2) . . . . ?
B12 B8 B9 B5 101.6(3) . . . . ?
B12 B8 B9 B10 38.1(2) . . . . ?
B12 B9 B10 B5 138.0(2) . . . . ?
B12 B9 B10 B6 101.0(2) . . . . ?
B12 B9 B10 B11 37.3(2) . . . . ?
B12 B10 B11 C2 99.2(3) . . . . ?
B12 B10 B11 B6 137.6(2) . . . . ?
B12 B10 B11 B7 37.9(2) . . . . ?
C13 C12 C19 Rh1 -103.2(3) . . . . ?
C13 C12 C19 C18 -1.9(5) . . . . ?
C13 C14 C15 Rh1 37.9(3) . . . . ?
C13 C14 C15 C16 -44.7(4) . . . . ?
C14 C15 C16 Rh1 101.1(3) . . . . ?
C14 C15 C16 C17 -1.3(5) . . . . ?
C15 Rh1 C1 C2 151.7(2) . . . . ?
C15 Rh1 C1 B3 81.8(2) . . . . ?
C15 Rh1 C1 B4 8.0(2) . . . . ?
C15 Rh1 C1 B5 -66.2(2) . . . . ?
C15 Rh1 C1 B6 -138.6(2) . . . . ?
C15 Rh1 C7 N1 -1.8(5) . . . . ?
C15 Rh1 C7 N2 176.7(3) . . . . ?
C15 Rh1 C12 C13 7.8(2) . . . . ?
C15 Rh1 C12 C19 -113.9(2) . . . . ?
C15 Rh1 C16 C17 120.6(3) . . . . ?
C15 Rh1 C19 C12 65.4(2) . . . . ?
C15 Rh1 C19 C18 -58.0(2) . . . . ?
C15 C16 C17 C18 94.5(4) . . . . ?
C16 Rh1 C1 C2 115.3(2) . . . . ?
C16 Rh1 C1 B3 45.4(2) . . . . ?
C16 Rh1 C1 B4 -28.4(2) . . . . ?
C16 Rh1 C1 B5 -102.6(2) . . . . ?
C16 Rh1 C1 B6 -175.1(2) . . . . ?
C16 Rh1 C7 N1 161.3(4) . . . . ?
C16 Rh1 C7 N2 -20.3(5) . . . . ?
C16 Rh1 C12 C13 43.8(2) . . . . ?
C16 Rh1 C12 C19 -77.82(19) . . . . ?
C16 Rh1 C15 C14 -123.2(3) . . . . ?
C16 Rh1 C19 C12 98.38(19) . . . . ?
C16 Rh1 C19 C18 -25.0(2) . . . . ?
C16 C17 C18 C19 -37.6(4) . . . . ?
C17 C18 C19 Rh1 41.8(3) . . . . ?
C17 C18 C19 C12 -40.9(4) . . . . ?
C19 Rh1 C1 C2 38.0(3) . . . . ?
C19 Rh1 C1 B3 -31.9(3) . . . . ?
C19 Rh1 C1 B4 -105.7(3) . . . . ?
C19 Rh1 C1 B5 -179.9(2) . . . . ?
C19 Rh1 C1 B6 107.7(3) . . . . ?
C19 Rh1 C7 N1 107.1(3) . . . . ?
C19 Rh1 C7 N2 -74.4(2) . . . . ?
C19 Rh1 C12 C13 121.6(3) . . . . ?
C19 Rh1 C15 C14 -58.7(2) . . . . ?
C19 Rh1 C15 C16 64.5(2) . . . . ?
C19 Rh1 C16 C15 -114.8(2) . . . . ?
C19 Rh1 C16 C17 5.7(2) . . . . ?
C19 C12 C13 C14 90.1(3) . . . . ?

loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
4 10 -14 0.0573 4.0008 9.9983 -13.9995 -0.0948 0.8639 0.4511
-4 -10 14 0.0573 -4.0008 -9.9983 13.9995 0.0948 -0.8639 -0.4511
18 -7 -14 0.2679 18.0040 -7.0148 -13.9922 0.5042 -0.2387 0.8110
-18 2 18 0.2016 -18.0037 2.0142 17.9929 -0.3900 -0.1316 -0.9144
22 1 1 0.1149 21.9965 0.9817 1.0047 -0.4925 -0.5416 0.6893
-22 -1 -1 0.1149 -21.9965 -0.9817 -1.0047 0.4925 0.5416 -0.6893
22 -5 -11 0.2235 22.0020 -5.0181 -10.9922 0.2254 -0.3613 0.8910
0 8 16 0.2545 -0.0073 7.9998 15.9959 -0.9572 -0.2404 -0.2690
12 6 11 0.2012 11.9933 5.9899 10.9998 -0.9056 -0.4424 0.2014
-21 -7 8 0.1209 -20.9976 -6.9836 7.9957 0.4657 -0.0838 -0.8628
16 -10 2 0.1702 16.0002 -10.0143 2.0058 0.1394 -0.9166 0.4212
22 7 -8 0.1061 21.9975 6.9828 -7.9954 -0.4843 0.0589 0.8948
3 14 -8 0.1032 2.9979 13.9992 -8.0015 -0.4858 0.8430 0.3234
15 4 -19 0.1349 15.0027 3.9889 -18.9948 0.1773 0.5095 0.8688
16 -4 8 0.1038 15.9966 -4.0141 8.0035 -0.3710 -0.8738 0.3358
-18 5 -5 0.1088 -17.9976 5.0157 -5.0046 0.2538 0.8564 -0.4528

_olex2_submission_special_instructions 'No special instructions were received'
