#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/57/7105787.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7105787
loop_
_publ_author_name
'Nikolaos Tsoureas'
'Yu-Ying Kuo'
'Mairi Haddow'
'Gareth Owen'
_publ_section_title
;
Double addition of H2 to transition metal–borane complexes: 
a ‘hydride shuttle’ process between boron and 
transition metal centres
;
_journal_name_full               Chem.Commun.
_journal_page_first              484
_journal_paper_doi               10.1039/c0cc02245d
_journal_volume                  47
_journal_year                    2011
_chemical_formula_moiety         'C49 H36 B2 N14 Rh2, 2(C6 H6)'
_chemical_formula_sum            'C61 H48 B2 N14 Rh2'
_chemical_formula_weight         1204.57
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                93.813(2)
_cell_angle_beta                 100.089(2)
_cell_angle_gamma                111.872(2)
_cell_formula_units_Z            2
_cell_length_a                   11.5334(5)
_cell_length_b                   15.3688(6)
_cell_length_c                   15.8442(6)
_cell_measurement_reflns_used    9977
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.38
_cell_measurement_theta_min      2.82
_cell_volume                     2539.18(18)
_computing_cell_refinement       'Bruker Apex II'
_computing_data_collection       'Bruker Apex II'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker ShelXTL'
_computing_publication_material  'Bruker ShelXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0541
_diffrn_reflns_av_sigmaI/netI    0.0620
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            81749
_diffrn_reflns_theta_full        36.32
_diffrn_reflns_theta_max         36.32
_diffrn_reflns_theta_min         1.81
_exptl_absorpt_coefficient_mu    0.709
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8264
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   'SADABS V2008/1'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.576
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1224
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.099
_refine_diff_density_min         -0.827
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     752
_refine_ls_number_reflns         24532
_refine_ls_number_restraints     162
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0710
_refine_ls_R_factor_gt           0.0401
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0384P)²+0.6313P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0814
_refine_ls_wR_factor_ref         0.0932
_reflns_number_gt                17403
_reflns_number_total             24532
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0CC02245D.TXT
_cod_data_source_block           Complex_5'
_cod_original_cell_volume        2539.17(18)
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7105787
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 1.104082(12) 0.324251(10) 0.256504(8) 0.01460(3) Uani 1 1 d . A .
H1 H 1.040(2) 0.2261(15) 0.1915(13) 0.018 Uiso 1 1 d . . .
Rh2 Rh 0.886474(12) 0.156299(9) 0.170058(8) 0.01332(3) Uani 1 1 d . A .
N1 N 0.64761(14) 0.14689(11) 0.21078(9) 0.0176(3) Uani 1 1 d . A .
N2 N 0.70588(14) 0.04694(11) 0.12462(9) 0.0170(3) Uani 1 1 d . A .
N3 N 0.74858(14) 0.27509(10) 0.12356(9) 0.0163(3) Uani 1 1 d . A .
N4 N 0.86849(14) 0.20951(10) 0.05525(9) 0.0157(3) Uani 1 1 d . A .
N5 N 0.81709(15) 0.30182(11) 0.28639(9) 0.0170(3) Uani 1 1 d . A .
N6 N 0.91806(15) 0.45179(11) 0.23555(10) 0.0204(3) Uani 1 1 d . A .
N7 N 1.36932(15) 0.35387(11) 0.31365(9) 0.0186(3) Uani 1 1 d . A .
N8 N 1.24934(15) 0.44779(11) 0.32769(9) 0.0178(3) Uani 1 1 d . A .
N9 N 1.26881(14) 0.28622(11) 0.15404(9) 0.0165(3) Uani 1 1 d . A .
N10 N 1.14063(14) 0.37540(10) 0.14378(9) 0.0155(3) Uani 1 1 d . A .
N11 N 1.23265(15) 0.17760(11) 0.26971(9) 0.0179(3) Uani 1 1 d . A .
N12 N 1.07196(16) 0.08257(12) 0.14351(10) 0.0203(3) Uani 1 1 d . A .
N13 N 0.90431(15) 0.11456(11) 0.28967(9) 0.0177(3) Uani 1 1 d . . .
N14 N 1.06989(15) 0.26143(12) 0.36412(9) 0.0193(3) Uani 1 1 d . . .
B1 B 0.77216(19) 0.23058(14) 0.20530(12) 0.0161(3) Uani 1 1 d . . .
B2 B 1.25551(19) 0.27674(15) 0.24865(12) 0.0174(3) Uani 1 1 d . . .
C1 C 0.61773(17) 0.06474(12) 0.15891(11) 0.0166(3) Uani 1 1 d . . .
C2 C 0.53334(18) 0.14187(14) 0.23175(12) 0.0220(3) Uani 1 1 d . . .
H2 H 0.5249 0.1906 0.2671 0.026 Uiso 1 1 calc R A .
C3 C 0.43470(18) 0.05807(14) 0.19508(13) 0.0235(4) Uani 1 1 d . A .
H3 H 0.3484 0.0381 0.2009 0.028 Uiso 1 1 calc R . .
C4 C 0.48751(17) 0.00639(13) 0.14616(11) 0.0195(3) Uani 1 1 d . A .
C5 C 0.44594(19) -0.07891(14) 0.09129(12) 0.0237(4) Uani 1 1 d . . .
H5 H 0.3591 -0.1222 0.0796 0.028 Uiso 1 1 calc R A .
C6 C 0.5350(2) -0.09876(14) 0.05428(12) 0.0239(4) Uani 1 1 d . A .
H6 H 0.5088 -0.1565 0.0166 0.029 Uiso 1 1 calc R . .
C7 C 0.66257(18) -0.03544(13) 0.07142(11) 0.0198(3) Uani 1 1 d . . .
H7 H 0.7210 -0.0512 0.0445 0.024 Uiso 1 1 calc R A .
C8 C 0.79765(16) 0.26184(12) 0.05504(10) 0.0161(3) Uani 1 1 d . . .
C9 C 0.67747(17) 0.32835(13) 0.09956(12) 0.0197(3) Uani 1 1 d . . .
H9 H 0.6319 0.3484 0.1357 0.024 Uiso 1 1 calc R A .
C10 C 0.68143(18) 0.34833(13) 0.01702(12) 0.0216(3) Uani 1 1 d . A .
H10 H 0.6394 0.3831 -0.0137 0.026 Uiso 1 1 calc R . .
C11 C 0.76142(18) 0.30672(13) -0.01418(11) 0.0193(3) Uani 1 1 d . A .
C12 C 0.80823(18) 0.29790(14) -0.08824(11) 0.0224(4) Uani 1 1 d . . .
H12 H 0.7895 0.3271 -0.1369 0.027 Uiso 1 1 calc R A .
C13 C 0.88321(19) 0.24503(14) -0.08862(11) 0.0223(4) Uani 1 1 d . A .
H13 H 0.9162 0.2382 -0.1385 0.027 Uiso 1 1 calc R . .
C14 C 0.91136(17) 0.20151(13) -0.01731(11) 0.0190(3) Uani 1 1 d . . .
H14 H 0.9621 0.1654 -0.0203 0.023 Uiso 1 1 calc R A .
C15 C 0.87439(17) 0.40022(12) 0.29634(11) 0.0172(3) Uani 1 1 d . . .
C16 C 0.79062(19) 0.27876(14) 0.36589(11) 0.0213(3) Uani 1 1 d . . .
H16 H 0.7534 0.2157 0.3778 0.026 Uiso 1 1 calc R A .
C17 C 0.82427(19) 0.35719(15) 0.42489(11) 0.0247(4) Uani 1 1 d . A .
H17 H 0.8141 0.3586 0.4831 0.030 Uiso 1 1 calc R . .
C18 C 0.87780(18) 0.43681(14) 0.38213(11) 0.0214(4) Uani 1 1 d . A .
C19 C 0.92619(19) 0.53501(15) 0.40338(13) 0.0263(4) Uani 1 1 d . . .
H19 H 0.9299 0.5636 0.4594 0.032 Uiso 1 1 calc R A .
C20 C 0.96859(19) 0.58951(14) 0.34055(14) 0.0279(4) Uani 1 1 d . A .
H20 H 1.0010 0.6567 0.3527 0.033 Uiso 1 1 calc R . .
C21 C 0.96373(19) 0.54591(14) 0.25938(13) 0.0248(4) Uani 1 1 d . . .
H21 H 0.9949 0.5855 0.2180 0.030 Uiso 1 1 calc R A .
C22 C 1.36024(17) 0.43640(13) 0.34173(11) 0.0176(3) Uani 1 1 d . . .
C23 C 1.49879(18) 0.37030(14) 0.33924(12) 0.0221(4) Uani 1 1 d . . .
H23 H 1.5341 0.3252 0.3273 0.027 Uiso 1 1 calc R A .
C24 C 1.56817(19) 0.45928(15) 0.38345(12) 0.0234(4) Uani 1 1 d . A .
H24 H 1.6573 0.4858 0.4082 0.028 Uiso 1 1 calc R . .
C25 C 1.48068(17) 0.50499(13) 0.38542(11) 0.0193(3) Uani 1 1 d . A .
C26 C 1.48425(19) 0.59379(14) 0.41515(12) 0.0237(4) Uani 1 1 d . . .
H26 H 1.5622 0.6434 0.4447 0.028 Uiso 1 1 calc R A .
C27 C 1.3704(2) 0.60731(14) 0.40023(12) 0.0247(4) Uani 1 1 d . A .
H27 H 1.3702 0.6671 0.4193 0.030 Uiso 1 1 calc R . .
C28 C 1.25597(19) 0.53368(14) 0.35732(11) 0.0214(3) Uani 1 1 d . . .
H28 H 1.1795 0.5450 0.3488 0.026 Uiso 1 1 calc R A .
C29 C 1.21700(16) 0.34083(12) 0.11119(11) 0.0160(3) Uani 1 1 d . . .
C30 C 1.33712(18) 0.26066(14) 0.10027(11) 0.0204(3) Uani 1 1 d . . .
H30 H 1.3831 0.2216 0.1139 0.025 Uiso 1 1 calc R A .
C31 C 1.32958(19) 0.29925(14) 0.02480(11) 0.0214(3) Uani 1 1 d . A .
H31 H 1.3686 0.2920 -0.0218 0.026 Uiso 1 1 calc R . .
C32 C 1.25152(17) 0.35257(13) 0.02995(11) 0.0188(3) Uani 1 1 d . A .
C33 C 1.20353(18) 0.40810(14) -0.01955(12) 0.0215(3) Uani 1 1 d . . .
H33 H 1.2234 0.4200 -0.0744 0.026 Uiso 1 1 calc R A .
C34 C 1.12559(18) 0.44550(14) 0.01391(12) 0.0213(3) Uani 1 1 d . A .
H34 H 1.0923 0.4839 -0.0188 0.026 Uiso 1 1 calc R . .
C35 C 1.09485(17) 0.42826(13) 0.09422(11) 0.0188(3) Uani 1 1 d . . .
H35 H 1.0403 0.4544 0.1144 0.023 Uiso 1 1 calc R A .
C36 C 1.14148(17) 0.09290(13) 0.22347(11) 0.0182(3) Uani 1 1 d . . .
C37 C 1.27649(19) 0.15642(14) 0.35025(11) 0.0215(3) Uani 1 1 d . . .
H37 H 1.3387 0.2019 0.3958 0.026 Uiso 1 1 calc R A .
C38 C 1.2189(2) 0.06222(15) 0.35558(12) 0.0258(4) Uani 1 1 d . A .
H38 H 1.2351 0.0313 0.4035 0.031 Uiso 1 1 calc R . .
C39 C 1.12962(19) 0.01910(14) 0.27518(12) 0.0215(3) Uani 1 1 d . A .
C40 C 1.0383(2) -0.07069(15) 0.24089(14) 0.0278(4) Uani 1 1 d . . .
H40 H 1.0259 -0.1220 0.2733 0.033 Uiso 1 1 calc R A .
C41 C 0.9658(2) -0.08342(15) 0.15825(13) 0.0265(4) Uani 1 1 d . A .
H41 H 0.9027 -0.1440 0.1326 0.032 Uiso 1 1 calc R . .
C42 C 0.98666(19) -0.00597(14) 0.11305(12) 0.0225(4) Uani 1 1 d . . .
H42 H 0.9364 -0.0168 0.0561 0.027 Uiso 1 1 calc R A .
C43 C 0.98551(18) 0.17191(14) 0.36166(11) 0.0185(3) Uani 1 1 d . A .
C44A C 0.83282(19) 0.02844(14) 0.30911(12) 0.0216(3) Uani 0.506(6) 1 d PU A 1
H44A H 0.7723 -0.0234 0.2681 0.026 Uiso 0.506(6) 1 calc PR A 1
C45A C 0.8615(11) 0.0277(5) 0.3973(8) 0.0271(15) Uani 0.506(6) 1 d PU A 1
H45A H 0.8222 -0.0225 0.4279 0.032 Uiso 0.506(6) 1 calc PR A 1
C46A C 0.9608(5) 0.1164(4) 0.4330(3) 0.0210(9) Uani 0.506(6) 1 d PU A 1
C47A C 1.0353(4) 0.1620(3) 0.5142(2) 0.0260(10) Uani 0.506(6) 1 d PU A 1
H47A H 1.0250 0.1313 0.5641 0.031 Uiso 0.506(6) 1 calc PR A 1
C48A C 1.1227(8) 0.2512(6) 0.5204(4) 0.0213(12) Uani 0.506(6) 1 d PU A 1
H48A H 1.1753 0.2829 0.5754 0.026 Uiso 0.506(6) 1 calc PR A 1
C49A C 1.13781(19) 0.29885(14) 0.44700(11) 0.0215(3) Uani 0.506(6) 1 d PU A 1
H49A H 1.2002 0.3619 0.4561 0.026 Uiso 0.506(6) 1 calc PR A 1
C44B C 1.13781(19) 0.29885(14) 0.44700(11) 0.0215(3) Uani 0.494(6) 1 d PU A 2
H44B H 1.2032 0.3605 0.4640 0.026 Uiso 0.494(6) 1 calc PR A 2
C45B C 1.0980(10) 0.2351(7) 0.5007(5) 0.0304(16) Uani 0.494(6) 1 d PU A 2
H45B H 1.1291 0.2438 0.5616 0.036 Uiso 0.494(6) 1 calc PR A 2
C46B C 1.0007(5) 0.1523(4) 0.4495(3) 0.0201(9) Uani 0.494(6) 1 d PU A 2
C47B C 0.9255(4) 0.0621(3) 0.4619(3) 0.0276(10) Uani 0.494(6) 1 d PU A 2
H47B H 0.9308 0.0434 0.5179 0.033 Uiso 0.494(6) 1 calc PR A 2
C48B C 0.8430(10) 0.0001(5) 0.3906(7) 0.0233(14) Uani 0.494(6) 1 d PU A 2
H48B H 0.7924 -0.0629 0.3972 0.028 Uiso 0.494(6) 1 calc PR A 2
C49B C 0.83282(19) 0.02844(14) 0.30911(12) 0.0216(3) Uani 0.494(6) 1 d PU A 2
H49B H 0.7706 -0.0161 0.2629 0.026 Uiso 0.494(6) 1 calc PR A 2
C50 C 0.6609(2) 0.57939(17) 0.21395(14) 0.0298(4) Uani 1 1 d . . .
H50 H 0.7083 0.5403 0.2190 0.036 Uiso 1 1 calc R . .
C51 C 0.5295(2) 0.53912(17) 0.18638(14) 0.0315(5) Uani 1 1 d . . .
H51 H 0.4865 0.4723 0.1722 0.038 Uiso 1 1 calc R . .
C52 C 0.4606(2) 0.59600(18) 0.17943(14) 0.0333(5) Uani 1 1 d . . .
H52 H 0.3700 0.5682 0.1609 0.040 Uiso 1 1 calc R . .
C53 C 0.5231(3) 0.69287(19) 0.19933(16) 0.0393(5) Uani 1 1 d . . .
H53 H 0.4754 0.7318 0.1945 0.047 Uiso 1 1 calc R . .
C54 C 0.6547(3) 0.73396(18) 0.22622(16) 0.0405(6) Uani 1 1 d . . .
H54 H 0.6977 0.8009 0.2391 0.049 Uiso 1 1 calc R . .
C55 C 0.7236(2) 0.67683(18) 0.23422(15) 0.0350(5) Uani 1 1 d . . .
H55 H 0.8140 0.7045 0.2537 0.042 Uiso 1 1 calc R . .
C56 C 0.5086(3) 0.8882(3) 0.4429(2) 0.0814(14) Uani 1 1 d . . .
H56 H 0.5948 0.9080 0.4734 0.098 Uiso 1 1 calc R . .
C57 C 0.4111(4) 0.8649(2) 0.48741(18) 0.0659(10) Uani 1 1 d . . .
H57 H 0.4301 0.8713 0.5489 0.079 Uiso 1 1 calc R . .
C58 C 0.2860(3) 0.8324(2) 0.4420(2) 0.0519(7) Uani 1 1 d . . .
H58 H 0.2178 0.8155 0.4718 0.062 Uiso 1 1 calc R . .
C59 C 0.2612(3) 0.8246(2) 0.3533(2) 0.0516(7) Uani 1 1 d . . .
H59 H 0.1751 0.8005 0.3215 0.062 Uiso 1 1 calc R . .
C60 C 0.3587(3) 0.8510(2) 0.31042(17) 0.0455(6) Uani 1 1 d . . .
H60 H 0.3402 0.8469 0.2491 0.055 Uiso 1 1 calc R . .
C61 C 0.4804(3) 0.8827(3) 0.35410(18) 0.0636(10) Uani 1 1 d . . .
H61 H 0.5478 0.9015 0.3237 0.076 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
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
N14 Rh1 N10 174.26(6) . . ?
N14 Rh1 N8 93.42(6) . . ?
N10 Rh1 N8 89.96(6) . . ?
N14 Rh1 B2 91.70(7) . . ?
N10 Rh1 B2 83.96(7) . . ?
N8 Rh1 B2 85.12(7) . . ?
N14 Rh1 Rh2 82.94(4) . . ?
N10 Rh1 Rh2 94.07(4) . . ?
N8 Rh1 Rh2 173.94(4) . . ?
B2 Rh1 Rh2 99.79(5) . . ?
N14 Rh1 N6 104.39(5) . . ?
N10 Rh1 N6 80.44(5) . . ?
N8 Rh1 N6 86.26(5) . . ?
B2 Rh1 N6 162.16(6) . . ?
Rh2 Rh1 N6 89.94(3) . . ?
N14 Rh1 H1 94.2(8) . . ?
N10 Rh1 H1 81.0(8) . . ?
N8 Rh1 H1 158.0(8) . . ?
B2 Rh1 H1 74.1(8) . . ?
Rh2 Rh1 H1 27.8(8) . . ?
N6 Rh1 H1 111.6(8) . . ?
N13 Rh2 N4 174.74(6) . . ?
N13 Rh2 N2 92.48(6) . . ?
N4 Rh2 N2 89.76(6) . . ?
N13 Rh2 B1 90.66(7) . . ?
N4 Rh2 B1 84.95(7) . . ?
N2 Rh2 B1 81.85(7) . . ?
N13 Rh2 N12 86.07(5) . . ?
N4 Rh2 N12 97.80(5) . . ?
N2 Rh2 N12 107.31(5) . . ?
B1 Rh2 N12 170.38(6) . . ?
N13 Rh2 Rh1 83.09(4) . . ?
N4 Rh2 Rh1 93.67(4) . . ?
N2 Rh2 Rh1 166.68(4) . . ?
B1 Rh2 Rh1 85.63(5) . . ?
N12 Rh2 Rh1 84.99(3) . . ?
N13 Rh2 H1 91.0(7) . . ?
N4 Rh2 H1 87.9(7) . . ?
N2 Rh2 H1 166.2(7) . . ?
B1 Rh2 H1 111.4(8) . . ?
N12 Rh2 H1 59.7(8) . . ?
Rh1 Rh2 H1 27.1(7) . . ?
C1 N1 C2 105.34(15) . . ?
C1 N1 B1 116.70(14) . . ?
C2 N1 B1 133.34(15) . . ?
C1 N2 C7 115.31(16) . . ?
C1 N2 Rh2 110.63(11) . . ?
C7 N2 Rh2 134.04(13) . . ?
C8 N3 C9 106.10(15) . . ?
C8 N3 B1 120.78(14) . . ?
C9 N3 B1 133.06(15) . . ?
C8 N4 C14 115.86(15) . . ?
C8 N4 Rh2 110.86(11) . . ?
C14 N4 Rh2 133.28(13) . . ?
C16 N5 C15 106.28(14) . . ?
C16 N5 B1 123.66(15) . . ?
C15 N5 B1 129.53(15) . . ?
C15 N6 C21 114.70(16) . . ?
C15 N6 Rh1 78.95(10) . . ?
C21 N6 Rh1 123.37(12) . . ?
C22 N7 C23 105.28(15) . . ?
C22 N7 B2 119.70(15) . . ?
C23 N7 B2 133.31(15) . . ?
C22 N8 C28 115.60(16) . . ?
C22 N8 Rh1 109.51(12) . . ?
C28 N8 Rh1 134.80(13) . . ?
C29 N9 C30 106.15(14) . . ?
C29 N9 B2 118.11(14) . . ?
C30 N9 B2 135.20(15) . . ?
C29 N10 C35 115.90(15) . . ?
C29 N10 Rh1 110.91(11) . . ?
C35 N10 Rh1 132.88(12) . . ?
C36 N11 C37 105.95(15) . . ?
C36 N11 B2 127.29(14) . . ?
C37 N11 B2 124.89(15) . . ?
C36 N12 C42 114.49(16) . . ?
C36 N12 Rh2 103.63(11) . . ?
C42 N12 Rh2 95.16(11) . . ?
C43 N13 C44A 110.92(15) . . ?
C43 N13 Rh2 123.64(12) . . ?
C44A N13 Rh2 125.36(12) . . ?
C43 N14 C49A 110.39(16) . . ?
C43 N14 Rh1 123.85(11) . . ?
C49A N14 Rh1 125.38(14) . . ?
N5 B1 N3 111.89(14) . . ?
N5 B1 N1 109.67(14) . . ?
N3 B1 N1 109.70(14) . . ?
N5 B1 Rh2 121.71(13) . . ?
N3 B1 Rh2 101.66(11) . . ?
N1 B1 Rh2 101.29(11) . . ?
N11 B2 N9 112.45(14) . . ?
N11 B2 N7 112.50(14) . . ?
N9 B2 N7 111.70(15) . . ?
N11 B2 Rh1 115.95(13) . . ?
N9 B2 Rh1 101.93(11) . . ?
N7 B2 Rh1 101.42(11) . . ?
N2 C1 N1 121.29(16) . . ?
N2 C1 C4 127.02(16) . . ?
N1 C1 C4 111.67(16) . . ?
C3 C2 N1 111.55(16) . . ?
C3 C2 H2 124.2 . . ?
N1 C2 H2 124.2 . . ?
C2 C3 C4 106.23(17) . . ?
C2 C3 H3 126.9 . . ?
C4 C3 H3 126.9 . . ?
C5 C4 C1 116.22(17) . . ?
C5 C4 C3 138.55(18) . . ?
C1 C4 C3 105.20(16) . . ?
C6 C5 C4 117.95(18) . . ?
C6 C5 H5 121.0 . . ?
C4 C5 H5 121.0 . . ?
C5 C6 C7 121.10(17) . . ?
C5 C6 H6 119.5 . . ?
C7 C6 H6 119.5 . . ?
N2 C7 C6 122.39(17) . . ?
N2 C7 H7 118.8 . . ?
C6 C7 H7 118.8 . . ?
N4 C8 N3 121.75(15) . . ?
N4 C8 C11 126.67(16) . . ?
N3 C8 C11 111.55(16) . . ?
C10 C9 N3 111.20(16) . . ?
C10 C9 H9 124.4 . . ?
N3 C9 H9 124.4 . . ?
C9 C10 C11 106.79(16) . . ?
C9 C10 H10 126.6 . . ?
C11 C10 H10 126.6 . . ?
C12 C11 C8 116.13(17) . . ?
C12 C11 C10 139.52(17) . . ?
C8 C11 C10 104.34(16) . . ?
C13 C12 C11 117.88(17) . . ?
C13 C12 H12 121.1 . . ?
C11 C12 H12 121.1 . . ?
C12 C13 C14 121.62(17) . . ?
C12 C13 H13 119.2 . . ?
C14 C13 H13 119.2 . . ?
N4 C14 C13 121.80(17) . . ?
N4 C14 H14 119.1 . . ?
C13 C14 H14 119.1 . . ?
N6 C15 N5 125.79(15) . . ?
N6 C15 C18 125.69(16) . . ?
N5 C15 C18 108.51(16) . . ?
C17 C16 N5 111.98(17) . . ?
C17 C16 H16 124.0 . . ?
N5 C16 H16 124.0 . . ?
C16 C17 C18 106.48(16) . . ?
C16 C17 H17 126.8 . . ?
C18 C17 H17 126.8 . . ?
C19 C18 C15 117.14(18) . . ?
C19 C18 C17 136.14(17) . . ?
C15 C18 C17 106.70(16) . . ?
C20 C19 C18 117.95(17) . . ?
C20 C19 H19 121.0 . . ?
C18 C19 H19 121.0 . . ?
C19 C20 C21 119.91(18) . . ?
C19 C20 H20 120.0 . . ?
C21 C20 H20 120.0 . . ?
N6 C21 C20 124.5(2) . . ?
N6 C21 H21 117.7 . . ?
C20 C21 H21 117.7 . . ?
N8 C22 N7 122.42(16) . . ?
N8 C22 C25 126.28(17) . . ?
N7 C22 C25 111.30(16) . . ?
C24 C23 N7 111.54(17) . . ?
C24 C23 H23 124.2 . . ?
N7 C23 H23 124.2 . . ?
C23 C24 C25 106.77(17) . . ?
C23 C24 H24 126.6 . . ?
C25 C24 H24 126.6 . . ?
C26 C25 C22 116.62(17) . . ?
C26 C25 C24 138.27(18) . . ?
C22 C25 C24 105.09(16) . . ?
C27 C26 C25 117.92(18) . . ?
C27 C26 H26 121.0 . . ?
C25 C26 H26 121.0 . . ?
C26 C27 C28 120.61(18) . . ?
C26 C27 H27 119.7 . . ?
C28 C27 H27 119.7 . . ?
N8 C28 C27 122.95(18) . . ?
N8 C28 H28 118.5 . . ?
C27 C28 H28 118.5 . . ?
N10 C29 N9 121.97(15) . . ?
N10 C29 C32 126.72(16) . . ?
N9 C29 C32 111.29(15) . . ?
C31 C30 N9 111.08(16) . . ?
C31 C30 H30 124.5 . . ?
N9 C30 H30 124.5 . . ?
C30 C31 C32 106.73(15) . . ?
C30 C31 H31 126.6 . . ?
C32 C31 H31 126.6 . . ?
C33 C32 C29 116.06(17) . . ?
C33 C32 C31 139.20(17) . . ?
C29 C32 C31 104.74(15) . . ?
C34 C33 C32 117.87(17) . . ?
C34 C33 H33 121.1 . . ?
C32 C33 H33 121.1 . . ?
C33 C34 C35 121.81(17) . . ?
C33 C34 H34 119.1 . . ?
C35 C34 H34 119.1 . . ?
N10 C35 C34 121.62(17) . . ?
N10 C35 H35 119.2 . . ?
C34 C35 H35 119.2 . . ?
N12 C36 N11 125.31(17) . . ?
N12 C36 C39 125.15(17) . . ?
N11 C36 C39 109.51(15) . . ?
C38 C37 N11 111.63(17) . . ?
C38 C37 H37 124.2 . . ?
N11 C37 H37 124.2 . . ?
C37 C38 C39 106.81(17) . . ?
C37 C38 H38 126.6 . . ?
C39 C38 H38 126.6 . . ?
C40 C39 C36 117.81(17) . . ?
C40 C39 C38 136.06(18) . . ?
C36 C39 C38 106.08(17) . . ?
C41 C40 C39 118.21(19) . . ?
C41 C40 H40 120.9 . . ?
C39 C40 H40 120.9 . . ?
C40 C41 C42 119.02(19) . . ?
C40 C41 H41 120.5 . . ?
C42 C41 H41 120.5 . . ?
N12 C42 C41 125.31(18) . . ?
N12 C42 H42 117.3 . . ?
C41 C42 H42 117.3 . . ?
N14 C43 N13 125.50(15) . . ?
N14 C43 C46B 106.0(3) . . ?
N13 C43 C46B 128.5(3) . . ?
N14 C43 C46A 128.9(3) . . ?
N13 C43 C46A 105.6(3) . . ?
C46B C43 C46A 22.94(19) . . ?
N13 C44A C45A 109.9(3) . . ?
N13 C44A H44A 125.1 . . ?
C45A C44A H44A 125.1 . . ?
C44A C45A C46A 106.4(7) . . ?
C44A C45A H45A 126.8 . . ?
C46A C45A H45A 126.8 . . ?
C47A C46A C45A 137.4(6) . . ?
C47A C46A C43 115.4(4) . . ?
C45A C46A C43 107.1(6) . . ?
C48A C47A C46A 118.2(5) . . ?
C48A C47A H47A 120.9 . . ?
C46A C47A H47A 120.9 . . ?
C47A C48A C49A 121.7(5) . . ?
C47A C48A H48A 119.2 . . ?
C49A C48A H48A 119.2 . . ?
N14 C49A C48A 125.3(3) . . ?
N14 C49A H49A 117.3 . . ?
C48A C49A H49A 117.3 . . ?
C46B C45B H45B 126.4 . . ?
C47B C46B C45B 137.4(6) . . ?
C47B C46B C43 115.9(4) . . ?
C45B C46B C43 106.6(5) . . ?
C48B C47B C46B 118.1(5) . . ?
C48B C47B H47B 121.0 . . ?
C46B C47B H47B 121.0 . . ?
C47B C48B H48B 119.6 . . ?
C51 C50 C55 119.9(2) . . ?
C51 C50 H50 120.0 . . ?
C55 C50 H50 120.0 . . ?
C50 C51 C52 120.0(2) . . ?
C50 C51 H51 120.0 . . ?
C52 C51 H51 120.0 . . ?
C53 C52 C51 120.0(2) . . ?
C53 C52 H52 120.0 . . ?
C51 C52 H52 120.0 . . ?
C52 C53 C54 120.5(2) . . ?
C52 C53 H53 119.8 . . ?
C54 C53 H53 119.8 . . ?
C53 C54 C55 119.5(2) . . ?
C53 C54 H54 120.3 . . ?
C55 C54 H54 120.3 . . ?
C54 C55 C50 120.1(2) . . ?
C54 C55 H55 119.9 . . ?
C50 C55 H55 119.9 . . ?
C61 C56 C57 119.8(3) . . ?
C61 C56 H56 120.1 . . ?
C57 C56 H56 120.1 . . ?
C58 C57 C56 119.5(3) . . ?
C58 C57 H57 120.3 . . ?
C56 C57 H57 120.3 . . ?
C59 C58 C57 119.2(3) . . ?
C59 C58 H58 120.4 . . ?
C57 C58 H58 120.4 . . ?
C60 C59 C58 120.6(3) . . ?
C60 C59 H59 119.7 . . ?
C58 C59 H59 119.7 . . ?
C61 C60 C59 120.5(3) . . ?
C61 C60 H60 119.8 . . ?
C59 C60 H60 119.8 . . ?
C60 C61 C56 120.4(3) . . ?
C60 C61 H61 119.8 . . ?
C56 C61 H61 119.8 . . ?
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 N14 2.0410(15) . ?
Rh1 N10 2.0467(14) . ?
Rh1 N8 2.0897(15) . ?
Rh1 B2 2.148(2) . ?
Rh1 Rh2 2.8873(2) . ?
Rh1 N6 3.3949(16) . ?
Rh1 H1 1.61(2) . ?
Rh2 N13 2.0418(14) . ?
Rh2 N4 2.0525(14) . ?
Rh2 N2 2.0945(15) . ?
Rh2 B1 2.1559(19) . ?
Rh2 N12 2.8452(16) . ?
Rh2 H1 1.65(2) . ?
N1 C1 1.352(2) . ?
N1 C2 1.391(2) . ?
N1 B1 1.552(3) . ?
N2 C1 1.336(2) . ?
N2 C7 1.343(2) . ?
N3 C8 1.346(2) . ?
N3 C9 1.386(2) . ?
N3 B1 1.534(2) . ?
N4 C8 1.343(2) . ?
N4 C14 1.344(2) . ?
N5 C16 1.385(2) . ?
N5 C15 1.391(2) . ?
N5 B1 1.508(2) . ?
N6 C15 1.336(2) . ?
N6 C21 1.343(2) . ?
N7 C22 1.363(2) . ?
N7 C23 1.397(2) . ?
N7 B2 1.547(2) . ?
N8 C22 1.337(2) . ?
N8 C28 1.341(2) . ?
N9 C29 1.353(2) . ?
N9 C30 1.386(2) . ?
N9 B2 1.544(2) . ?
N10 C29 1.340(2) . ?
N10 C35 1.347(2) . ?
N11 C36 1.386(2) . ?
N11 C37 1.394(2) . ?
N11 B2 1.517(3) . ?
N12 C36 1.340(2) . ?
N12 C42 1.342(3) . ?
N13 C43 1.354(2) . ?
N13 C44A 1.363(2) . ?
N14 C43 1.350(2) . ?
N14 C49A 1.368(2) . ?
C1 C4 1.402(2) . ?
C2 C3 1.367(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.431(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.392(3) . ?
C5 C6 1.383(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.394(3) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C11 1.417(2) . ?
C9 C10 1.368(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.436(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.394(3) . ?
C12 C13 1.390(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.401(3) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C15 C18 1.424(2) . ?
C16 C17 1.361(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.425(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.393(3) . ?
C19 C20 1.381(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.392(3) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 C25 1.412(2) . ?
C23 C24 1.364(3) . ?
C23 H23 0.9500 . ?
C24 C25 1.432(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.397(3) . ?
C26 C27 1.387(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.398(3) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C32 1.416(2) . ?
C30 C31 1.373(3) . ?
C30 H30 0.9500 . ?
C31 C32 1.434(3) . ?
C31 H31 0.9500 . ?
C32 C33 1.392(3) . ?
C33 C34 1.390(3) . ?
C33 H33 0.9500 . ?
C34 C35 1.396(3) . ?
C34 H34 0.9500 . ?
C35 H35 0.9500 . ?
C36 C39 1.422(3) . ?
C37 C38 1.365(3) . ?
C37 H37 0.9500 . ?
C38 C39 1.429(3) . ?
C38 H38 0.9500 . ?
C39 C40 1.388(3) . ?
C40 C41 1.383(3) . ?
C40 H40 0.9500 . ?
C41 C42 1.396(3) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 C46B 1.439(5) . ?
C43 C46A 1.465(5) . ?
C44A C45A 1.380(12) . ?
C44A H44A 0.9500 . ?
C45A C46A 1.414(10) . ?
C45A H45A 0.9500 . ?
C46A C47A 1.389(6) . ?
C47A C48A 1.350(10) . ?
C47A H47A 0.9500 . ?
C48A C49A 1.417(8) . ?
C48A H48A 0.9500 . ?
C49A H49A 0.9500 . ?
C45B C46B 1.419(10) . ?
C45B H45B 0.9500 . ?
C46B C47B 1.383(7) . ?
C47B C48B 1.377(10) . ?
C47B H47B 0.9500 . ?
C48B H48B 0.9500 . ?
C50 C51 1.380(3) . ?
C50 C55 1.384(3) . ?
C50 H50 0.9500 . ?
C51 C52 1.382(3) . ?
C51 H51 0.9500 . ?
C52 C53 1.376(4) . ?
C52 H52 0.9500 . ?
C53 C54 1.382(4) . ?
C53 H53 0.9500 . ?
C54 C55 1.384(4) . ?
C54 H54 0.9500 . ?
C55 H55 0.9500 . ?
C56 C61 1.376(4) . ?
C56 C57 1.379(5) . ?
C56 H56 0.9500 . ?
C57 C58 1.378(5) . ?
C57 H57 0.9500 . ?
C58 C59 1.373(4) . ?
C58 H58 0.9500 . ?
C59 C60 1.362(4) . ?
C59 H59 0.9500 . ?
C60 C61 1.339(4) . ?
C60 H60 0.9500 . ?
C61 H61 0.9500 . ?
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
N14 Rh1 Rh2 N13 -7.03(6) . . . . ?
N10 Rh1 Rh2 N13 168.04(6) . . . . ?
N8 Rh1 Rh2 N13 -60.4(4) . . . . ?
B2 Rh1 Rh2 N13 83.48(7) . . . . ?
N6 Rh1 Rh2 N13 -111.55(5) . . . . ?
N14 Rh1 Rh2 N4 168.81(6) . . . . ?
N10 Rh1 Rh2 N4 -16.12(6) . . . . ?
N8 Rh1 Rh2 N4 115.4(4) . . . . ?
B2 Rh1 Rh2 N4 -100.68(7) . . . . ?
N6 Rh1 Rh2 N4 64.29(5) . . . . ?
N14 Rh1 Rh2 N2 64.17(18) . . . . ?
N10 Rh1 Rh2 N2 -120.76(18) . . . . ?
N8 Rh1 Rh2 N2 10.8(4) . . . . ?
B2 Rh1 Rh2 N2 154.68(19) . . . . ?
N6 Rh1 Rh2 N2 -40.34(18) . . . . ?
N14 Rh1 Rh2 B1 84.16(7) . . . . ?
N10 Rh1 Rh2 B1 -100.77(7) . . . . ?
N8 Rh1 Rh2 B1 30.8(4) . . . . ?
B2 Rh1 Rh2 B1 174.68(7) . . . . ?
N6 Rh1 Rh2 B1 -20.35(6) . . . . ?
N14 Rh1 Rh2 N12 -93.67(5) . . . . ?
N10 Rh1 Rh2 N12 81.40(5) . . . . ?
N8 Rh1 Rh2 N12 -147.1(4) . . . . ?
B2 Rh1 Rh2 N12 -3.16(6) . . . . ?
N6 Rh1 Rh2 N12 161.81(4) . . . . ?
N13 Rh2 N2 C1 73.38(12) . . . . ?
N4 Rh2 N2 C1 -101.86(12) . . . . ?
B1 Rh2 N2 C1 -16.93(12) . . . . ?
N12 Rh2 N2 C1 160.04(11) . . . . ?
Rh1 Rh2 N2 C1 3.2(3) . . . . ?
N13 Rh2 N2 C7 -104.96(17) . . . . ?
N4 Rh2 N2 C7 79.80(17) . . . . ?
B1 Rh2 N2 C7 164.73(18) . . . . ?
N12 Rh2 N2 C7 -18.30(18) . . . . ?
Rh1 Rh2 N2 C7 -175.12(12) . . . . ?
N13 Rh2 N4 C8 -34.0(7) . . . . ?
N2 Rh2 N4 C8 81.36(12) . . . . ?
B1 Rh2 N4 C8 -0.48(12) . . . . ?
N12 Rh2 N4 C8 -171.19(11) . . . . ?
Rh1 Rh2 N4 C8 -85.76(11) . . . . ?
N13 Rh2 N4 C14 146.8(6) . . . . ?
N2 Rh2 N4 C14 -97.87(17) . . . . ?
B1 Rh2 N4 C14 -179.71(17) . . . . ?
N12 Rh2 N4 C14 9.57(17) . . . . ?
Rh1 Rh2 N4 C14 95.01(16) . . . . ?
N14 Rh1 N6 C15 -10.57(11) . . . . ?
N10 Rh1 N6 C15 166.26(10) . . . . ?
N8 Rh1 N6 C15 -103.15(10) . . . . ?
B2 Rh1 N6 C15 -164.38(18) . . . . ?
Rh2 Rh1 N6 C15 72.12(9) . . . . ?
N14 Rh1 N6 C21 101.84(15) . . . . ?
N10 Rh1 N6 C21 -81.33(15) . . . . ?
N8 Rh1 N6 C21 9.26(15) . . . . ?
B2 Rh1 N6 C21 -52.0(3) . . . . ?
Rh2 Rh1 N6 C21 -175.47(15) . . . . ?
N14 Rh1 N8 C22 85.53(12) . . . . ?
N10 Rh1 N8 C22 -89.83(12) . . . . ?
B2 Rh1 N8 C22 -5.89(12) . . . . ?
Rh2 Rh1 N8 C22 138.5(3) . . . . ?
N6 Rh1 N8 C22 -170.25(12) . . . . ?
N14 Rh1 N8 C28 -98.23(18) . . . . ?
N10 Rh1 N8 C28 86.42(18) . . . . ?
B2 Rh1 N8 C28 170.35(18) . . . . ?
Rh2 Rh1 N8 C28 -45.3(5) . . . . ?
N6 Rh1 N8 C28 5.99(17) . . . . ?
N14 Rh1 N10 C29 -29.0(6) . . . . ?
N8 Rh1 N10 C29 97.14(12) . . . . ?
B2 Rh1 N10 C29 12.04(12) . . . . ?
Rh2 Rh1 N10 C29 -87.40(11) . . . . ?
N6 Rh1 N10 C29 -176.65(12) . . . . ?
N14 Rh1 N10 C35 144.1(5) . . . . ?
N8 Rh1 N10 C35 -89.72(16) . . . . ?
B2 Rh1 N10 C35 -174.82(17) . . . . ?
Rh2 Rh1 N10 C35 85.75(16) . . . . ?
N6 Rh1 N10 C35 -3.50(15) . . . . ?
N13 Rh2 N12 C36 -28.93(12) . . . . ?
N4 Rh2 N12 C36 147.49(12) . . . . ?
N2 Rh2 N12 C36 -120.31(12) . . . . ?
B1 Rh2 N12 C36 41.4(4) . . . . ?
Rh1 Rh2 N12 C36 54.47(12) . . . . ?
N13 Rh2 N12 C42 87.83(12) . . . . ?
N4 Rh2 N12 C42 -95.75(11) . . . . ?
N2 Rh2 N12 C42 -3.55(12) . . . . ?
B1 Rh2 N12 C42 158.2(3) . . . . ?
Rh1 Rh2 N12 C42 171.22(11) . . . . ?
N4 Rh2 N13 C43 -44.4(7) . . . . ?
N2 Rh2 N13 C43 -159.65(14) . . . . ?
B1 Rh2 N13 C43 -77.78(15) . . . . ?
N12 Rh2 N13 C43 93.16(14) . . . . ?
Rh1 Rh2 N13 C43 7.74(13) . . . . ?
N4 Rh2 N13 C44A 131.8(6) . . . . ?
N2 Rh2 N13 C44A 16.63(15) . . . . ?
B1 Rh2 N13 C44A 98.50(16) . . . . ?
N12 Rh2 N13 C44A -90.56(15) . . . . ?
Rh1 Rh2 N13 C44A -175.98(15) . . . . ?
N10 Rh1 N14 C43 -50.0(6) . . . . ?
N8 Rh1 N14 C43 -176.04(15) . . . . ?
B2 Rh1 N14 C43 -90.82(15) . . . . ?
Rh2 Rh1 N14 C43 8.84(14) . . . . ?
N6 Rh1 N14 C43 96.95(14) . . . . ?
N10 Rh1 N14 C49A 122.2(6) . . . . ?
N8 Rh1 N14 C49A -3.81(16) . . . . ?
B2 Rh1 N14 C49A 81.41(16) . . . . ?
Rh2 Rh1 N14 C49A -178.93(15) . . . . ?
N6 Rh1 N14 C49A -90.82(15) . . . . ?
C16 N5 B1 N3 149.02(17) . . . . ?
C15 N5 B1 N3 -21.4(3) . . . . ?
C16 N5 B1 N1 27.0(2) . . . . ?
C15 N5 B1 N1 -143.35(17) . . . . ?
C16 N5 B1 Rh2 -90.7(2) . . . . ?
C15 N5 B1 Rh2 98.9(2) . . . . ?
C8 N3 B1 N5 130.96(17) . . . . ?
C9 N3 B1 N5 -52.2(3) . . . . ?
C8 N3 B1 N1 -107.08(17) . . . . ?
C9 N3 B1 N1 69.7(2) . . . . ?
C8 N3 B1 Rh2 -0.44(18) . . . . ?
C9 N3 B1 Rh2 176.38(16) . . . . ?
C1 N1 B1 N5 -159.30(15) . . . . ?
C2 N1 B1 N5 48.8(3) . . . . ?
C1 N1 B1 N3 77.42(18) . . . . ?
C2 N1 B1 N3 -74.4(2) . . . . ?
C1 N1 B1 Rh2 -29.46(17) . . . . ?
C2 N1 B1 Rh2 178.68(17) . . . . ?
N13 Rh2 B1 N5 52.46(15) . . . . ?
N4 Rh2 B1 N5 -124.64(15) . . . . ?
N2 Rh2 B1 N5 144.88(15) . . . . ?
N12 Rh2 B1 N5 -17.5(5) . . . . ?
Rh1 Rh2 B1 N5 -30.56(14) . . . . ?
N13 Rh2 B1 N3 177.56(11) . . . . ?
N4 Rh2 B1 N3 0.46(11) . . . . ?
N2 Rh2 B1 N3 -90.02(11) . . . . ?
N12 Rh2 B1 N3 107.6(4) . . . . ?
Rh1 Rh2 B1 N3 94.54(10) . . . . ?
N13 Rh2 B1 N1 -69.34(11) . . . . ?
N4 Rh2 B1 N1 113.56(11) . . . . ?
N2 Rh2 B1 N1 23.07(10) . . . . ?
N12 Rh2 B1 N1 -139.3(3) . . . . ?
Rh1 Rh2 B1 N1 -152.36(10) . . . . ?
C36 N11 B2 N9 -50.8(2) . . . . ?
C37 N11 B2 N9 146.98(17) . . . . ?
C36 N11 B2 N7 -177.97(16) . . . . ?
C37 N11 B2 N7 19.8(2) . . . . ?
C36 N11 B2 Rh1 65.9(2) . . . . ?
C37 N11 B2 Rh1 -96.29(18) . . . . ?
C29 N9 B2 N11 142.05(16) . . . . ?
C30 N9 B2 N11 -47.7(3) . . . . ?
C29 N9 B2 N7 -90.36(19) . . . . ?
C30 N9 B2 N7 79.9(2) . . . . ?
C29 N9 B2 Rh1 17.21(18) . . . . ?
C30 N9 B2 Rh1 -172.52(18) . . . . ?
C22 N7 B2 N11 -139.18(16) . . . . ?
C23 N7 B2 N11 58.1(3) . . . . ?
C22 N7 B2 N9 93.26(19) . . . . ?
C23 N7 B2 N9 -69.4(3) . . . . ?
C22 N7 B2 Rh1 -14.64(19) . . . . ?
C23 N7 B2 Rh1 -177.34(17) . . . . ?
N14 Rh1 B2 N11 39.03(13) . . . . ?
N10 Rh1 B2 N11 -137.20(13) . . . . ?
N8 Rh1 B2 N11 132.33(13) . . . . ?
Rh2 Rh1 B2 N11 -44.09(12) . . . . ?
N6 Rh1 B2 N11 -166.28(12) . . . . ?
N14 Rh1 B2 N9 161.50(11) . . . . ?
N10 Rh1 B2 N9 -14.73(11) . . . . ?
N8 Rh1 B2 N9 -105.20(12) . . . . ?
Rh2 Rh1 B2 N9 78.38(11) . . . . ?
N6 Rh1 B2 N9 -43.8(3) . . . . ?
N14 Rh1 B2 N7 -83.14(12) . . . . ?
N10 Rh1 B2 N7 100.63(11) . . . . ?
N8 Rh1 B2 N7 10.15(11) . . . . ?
Rh2 Rh1 B2 N7 -166.27(10) . . . . ?
N6 Rh1 B2 N7 71.5(2) . . . . ?
C7 N2 C1 N1 -177.32(16) . . . . ?
Rh2 N2 C1 N1 4.0(2) . . . . ?
C7 N2 C1 C4 1.1(3) . . . . ?
Rh2 N2 C1 C4 -177.61(15) . . . . ?
C2 N1 C1 N2 178.22(16) . . . . ?
B1 N1 C1 N2 19.1(2) . . . . ?
C2 N1 C1 C4 -0.4(2) . . . . ?
B1 N1 C1 C4 -159.56(15) . . . . ?
C1 N1 C2 C3 0.9(2) . . . . ?
B1 N1 C2 C3 155.02(18) . . . . ?
N1 C2 C3 C4 -1.1(2) . . . . ?
N2 C1 C4 C5 -0.5(3) . . . . ?
N1 C1 C4 C5 178.02(16) . . . . ?
N2 C1 C4 C3 -178.76(17) . . . . ?
N1 C1 C4 C3 -0.2(2) . . . . ?
C2 C3 C4 C5 -176.9(2) . . . . ?
C2 C3 C4 C1 0.8(2) . . . . ?
C1 C4 C5 C6 -0.1(3) . . . . ?
C3 C4 C5 C6 177.4(2) . . . . ?
C4 C5 C6 C7 0.1(3) . . . . ?
C1 N2 C7 C6 -1.1(3) . . . . ?
Rh2 N2 C7 C6 177.23(14) . . . . ?
C5 C6 C7 N2 0.5(3) . . . . ?
C14 N4 C8 N3 179.74(16) . . . . ?
Rh2 N4 C8 N3 0.4(2) . . . . ?
C14 N4 C8 C11 1.8(3) . . . . ?
Rh2 N4 C8 C11 -177.60(14) . . . . ?
C9 N3 C8 N4 -177.50(16) . . . . ?
B1 N3 C8 N4 0.1(2) . . . . ?
C9 N3 C8 C11 0.7(2) . . . . ?
B1 N3 C8 C11 178.33(15) . . . . ?
C8 N3 C9 C10 0.1(2) . . . . ?
B1 N3 C9 C10 -177.08(17) . . . . ?
N3 C9 C10 C11 -0.9(2) . . . . ?
N4 C8 C11 C12 -2.3(3) . . . . ?
N3 C8 C11 C12 179.51(16) . . . . ?
N4 C8 C11 C10 176.90(17) . . . . ?
N3 C8 C11 C10 -1.2(2) . . . . ?
C9 C10 C11 C12 -179.8(2) . . . . ?
C9 C10 C11 C8 1.2(2) . . . . ?
C8 C11 C12 C13 1.3(3) . . . . ?
C10 C11 C12 C13 -177.6(2) . . . . ?
C11 C12 C13 C14 0.1(3) . . . . ?
C8 N4 C14 C13 -0.2(3) . . . . ?
Rh2 N4 C14 C13 179.03(13) . . . . ?
C12 C13 C14 N4 -0.7(3) . . . . ?
C21 N6 C15 N5 176.82(17) . . . . ?
Rh1 N6 C15 N5 -61.38(17) . . . . ?
C21 N6 C15 C18 -2.7(3) . . . . ?
Rh1 N6 C15 C18 119.13(18) . . . . ?
C16 N5 C15 N6 178.18(17) . . . . ?
B1 N5 C15 N6 -10.1(3) . . . . ?
C16 N5 C15 C18 -2.3(2) . . . . ?
B1 N5 C15 C18 169.42(17) . . . . ?
C15 N5 C16 C17 1.9(2) . . . . ?
B1 N5 C16 C17 -170.35(17) . . . . ?
N5 C16 C17 C18 -0.8(2) . . . . ?
N6 C15 C18 C19 2.8(3) . . . . ?
N5 C15 C18 C19 -176.81(16) . . . . ?
N6 C15 C18 C17 -178.64(18) . . . . ?
N5 C15 C18 C17 1.8(2) . . . . ?
C16 C17 C18 C19 177.6(2) . . . . ?
C16 C17 C18 C15 -0.6(2) . . . . ?
C15 C18 C19 C20 -0.8(3) . . . . ?
C17 C18 C19 C20 -178.9(2) . . . . ?
C18 C19 C20 C21 -0.9(3) . . . . ?
C15 N6 C21 C20 0.8(3) . . . . ?
Rh1 N6 C21 C20 -92.1(2) . . . . ?
C19 C20 C21 N6 1.0(3) . . . . ?
C28 N8 C22 N7 -178.44(16) . . . . ?
Rh1 N8 C22 N7 -1.4(2) . . . . ?
C28 N8 C22 C25 1.2(3) . . . . ?
Rh1 N8 C22 C25 178.20(15) . . . . ?
C23 N7 C22 N8 179.08(16) . . . . ?
B2 N7 C22 N8 12.0(3) . . . . ?
C23 N7 C22 C25 -0.6(2) . . . . ?
B2 N7 C22 C25 -167.60(15) . . . . ?
C22 N7 C23 C24 1.3(2) . . . . ?
B2 N7 C23 C24 165.74(18) . . . . ?
N7 C23 C24 C25 -1.5(2) . . . . ?
N8 C22 C25 C26 -1.4(3) . . . . ?
N7 C22 C25 C26 178.21(16) . . . . ?
N8 C22 C25 C24 -179.91(17) . . . . ?
N7 C22 C25 C24 -0.3(2) . . . . ?
C23 C24 C25 C26 -176.9(2) . . . . ?
C23 C24 C25 C22 1.0(2) . . . . ?
C22 C25 C26 C27 0.5(3) . . . . ?
C24 C25 C26 C27 178.3(2) . . . . ?
C25 C26 C27 C28 0.5(3) . . . . ?
C22 N8 C28 C27 0.0(3) . . . . ?
Rh1 N8 C28 C27 -176.09(14) . . . . ?
C26 C27 C28 N8 -0.8(3) . . . . ?
C35 N10 C29 N9 -179.61(16) . . . . ?
Rh1 N10 C29 N9 -5.2(2) . . . . ?
C35 N10 C29 C32 -1.5(3) . . . . ?
Rh1 N10 C29 C32 172.94(14) . . . . ?
C30 N9 C29 N10 177.73(16) . . . . ?
B2 N9 C29 N10 -9.4(2) . . . . ?
C30 N9 C29 C32 -0.7(2) . . . . ?
B2 N9 C29 C32 172.22(15) . . . . ?
C29 N9 C30 C31 0.5(2) . . . . ?
B2 N9 C30 C31 -170.54(19) . . . . ?
N9 C30 C31 C32 -0.2(2) . . . . ?
N10 C29 C32 C33 1.9(3) . . . . ?
N9 C29 C32 C33 -179.76(16) . . . . ?
N10 C29 C32 C31 -177.76(17) . . . . ?
N9 C29 C32 C31 0.5(2) . . . . ?
C30 C31 C32 C33 -179.8(2) . . . . ?
C30 C31 C32 C29 -0.2(2) . . . . ?
C29 C32 C33 C34 -0.9(3) . . . . ?
C31 C32 C33 C34 178.7(2) . . . . ?
C32 C33 C34 C35 -0.3(3) . . . . ?
C29 N10 C35 C34 0.0(2) . . . . ?
Rh1 N10 C35 C34 -172.85(13) . . . . ?
C33 C34 C35 N10 0.8(3) . . . . ?
C42 N12 C36 N11 -178.00(17) . . . . ?
Rh2 N12 C36 N11 -75.75(18) . . . . ?
C42 N12 C36 C39 -0.4(3) . . . . ?
Rh2 N12 C36 C39 101.80(17) . . . . ?
C37 N11 C36 N12 177.41(17) . . . . ?
B2 N11 C36 N12 12.5(3) . . . . ?
C37 N11 C36 C39 -0.5(2) . . . . ?
B2 N11 C36 C39 -165.37(17) . . . . ?
C36 N11 C37 C38 1.3(2) . . . . ?
B2 N11 C37 C38 166.70(18) . . . . ?
N11 C37 C38 C39 -1.7(2) . . . . ?
N12 C36 C39 C40 -0.6(3) . . . . ?
N11 C36 C39 C40 177.25(17) . . . . ?
N12 C36 C39 C38 -178.38(18) . . . . ?
N11 C36 C39 C38 -0.5(2) . . . . ?
C37 C38 C39 C40 -175.9(2) . . . . ?
C37 C38 C39 C36 1.3(2) . . . . ?
C36 C39 C40 C41 1.0(3) . . . . ?
C38 C39 C40 C41 177.9(2) . . . . ?
C39 C40 C41 C42 -0.3(3) . . . . ?
C36 N12 C42 C41 1.2(3) . . . . ?
Rh2 N12 C42 C41 -106.33(19) . . . . ?
C40 C41 C42 N12 -0.9(3) . . . . ?
C49A N14 C43 N13 -179.47(17) . . . . ?
Rh1 N14 C43 N13 -6.2(3) . . . . ?
C49A N14 C43 C46B 0.7(3) . . . . ?
Rh1 N14 C43 C46B 174.0(2) . . . . ?
C49A N14 C43 C46A 0.8(3) . . . . ?
Rh1 N14 C43 C46A 174.1(3) . . . . ?
C44A N13 C43 N14 179.38(17) . . . . ?
Rh2 N13 C43 N14 -3.9(3) . . . . ?
C44A N13 C43 C46B -0.9(4) . . . . ?
Rh2 N13 C43 C46B 175.9(3) . . . . ?
C44A N13 C43 C46A -0.9(3) . . . . ?
Rh2 N13 C43 C46A 175.9(2) . . . . ?
C43 N13 C44A C45A 2.6(6) . . . . ?
Rh2 N13 C44A C45A -174.1(6) . . . . ?
N13 C44A C45A C46A -3.3(10) . . . . ?
C44A C45A C46A C47A -178.4(5) . . . . ?
C44A C45A C46A C43 2.7(10) . . . . ?
N14 C43 C46A C47A -0.6(5) . . . . ?
N13 C43 C46A C47A 179.6(3) . . . . ?
C46B C43 C46A C47A -0.4(6) . . . . ?
N14 C43 C46A C45A 178.6(6) . . . . ?
N13 C43 C46A C45A -1.2(7) . . . . ?
C46B C43 C46A C45A 178.8(12) . . . . ?
C45A C46A C47A C48A -179.3(10) . . . . ?
C43 C46A C47A C48A -0.4(7) . . . . ?
C46A C47A C48A C49A 1.1(10) . . . . ?
C43 N14 C49A C48A 0.0(5) . . . . ?
Rh1 N14 C49A C48A -173.2(5) . . . . ?
C47A C48A C49A N14 -0.9(10) . . . . ?
N14 C43 C46B C47B -177.9(4) . . . . ?
N13 C43 C46B C47B 2.3(6) . . . . ?
C46A C43 C46B C47B 2.3(6) . . . . ?
N14 C43 C46B C45B -0.3(6) . . . . ?
N13 C43 C46B C45B 179.9(5) . . . . ?
C46A C43 C46B C45B 179.9(11) . . . . ?
C45B C46B C47B C48B -177.3(10) . . . . ?
C43 C46B C47B C48B -0.8(8) . . . . ?
C55 C50 C51 C52 -0.3(3) . . . . ?
C50 C51 C52 C53 0.5(3) . . . . ?
C51 C52 C53 C54 0.1(4) . . . . ?
C52 C53 C54 C55 -0.9(4) . . . . ?
C53 C54 C55 C50 1.1(4) . . . . ?
C51 C50 C55 C54 -0.5(3) . . . . ?
C61 C56 C57 C58 2.8(6) . . . . ?
C56 C57 C58 C59 -0.6(5) . . . . ?
C57 C58 C59 C60 -1.7(5) . . . . ?
C58 C59 C60 C61 1.8(5) . . . . ?
C59 C60 C61 C56 0.6(6) . . . . ?
C57 C56 C61 C60 -2.9(7) . . . . ?
