#------------------------------------------------------------------------------
#$Date: 2016-03-26 03:31:26 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180185 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/81/7108130.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_7108130
loop_
_publ_author_name
'Christina Y. Tang'
'Nicholas Phillips'
'Joshua I. Bates'
'Amber L. Thompson'
'Matthias J. Gutmann'
'Simon Aldridge'
_publ_section_title
;
 Dimethylamine borane dehydrogenation chemistry: syntheses, X-ray and
 neutron diffraction studies of 18-electron aminoborane and 14-electron
 aminoboryl complexes
;
_journal_name_full               Chem.Commun.
_journal_page_first              8096
_journal_paper_doi               10.1039/c2cc33361a
_journal_volume                  48
_journal_year                    2012
_chemical_formula_moiety         'C44 H57 B N5 Rh, C32 H12 B F24'
_chemical_formula_sum            'C76 H69 B2 F24 N5 Rh'
_chemical_formula_weight         1632.90
_chemical_melting_point          ?
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     'Refinement of known model'
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.2840(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.7649(2)
_cell_length_b                   14.1705(2)
_cell_length_c                   21.1902(4)
_cell_measurement_temperature    150(2)
_cell_volume                     3826.70(11)
_computing_cell_refinement       SXD2001
_computing_data_collection       SXD2001
_computing_data_reduction        SXD2001
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'Refinement of known model'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.034
_diffrn_measured_fraction_theta_max 0.034
_diffrn_measurement_device_type  'SXD at ISIS neutron source'
_diffrn_measurement_method       'time-of-flight Laue diffraction'
_diffrn_radiation_monochromator  none
_diffrn_radiation_probe          neutron
_diffrn_radiation_source         'ISIS spallation neutron source'
_diffrn_radiation_type           Neutron
_diffrn_radiation_wavelength     Laue
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0459
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            7166
_diffrn_reflns_theta_full        83.06
_diffrn_reflns_theta_max         83.06
_diffrn_reflns_theta_min         8.09
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.159
_exptl_absorpt_correction_T_max  0.7420
_exptl_absorpt_correction_T_min  0.5042
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
Calculated using custom ISIS software program SXD-2001.
;
_exptl_crystal_colour            clear_intense_yellow
_exptl_crystal_density_diffrn    1.417
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             892
_exptl_crystal_size_max          5.00
_exptl_crystal_size_mid          3.00
_exptl_crystal_size_min          2.00
_refine_diff_density_max         1.238
_refine_diff_density_min         -1.139
_refine_diff_density_rms         0.232
_refine_ls_extinction_coef       0.00334(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    anisotropic
_refine_ls_matrix_type           full
_refine_ls_number_parameters     820
_refine_ls_number_reflns         7166
_refine_ls_number_restraints     1200
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.0944
_refine_ls_R_factor_gt           0.0944
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1764P)²+93.0533P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2349
_refine_ls_wR_factor_ref         0.2349
_reflns_number_gt                7166
_reflns_number_total             7166
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc33361a.txt
_cod_data_source_block           3-Neutron
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P 2/n '
_cod_database_code               7108130
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.2500 0.1549(5) 0.7500 0.0253(16) Uani 1 2 d SU . .
H1 H 0.2472(18) 0.149(2) 0.8160(12) 0.170(11) Uani 1 1 d . . .
C2 C 0.4096(4) 0.1599(4) 0.7531(2) 0.0327(12) Uani 1 1 d . A .
N3 N 0.4811(3) 0.1214(3) 0.79637(17) 0.0386(10) Uani 1 1 d . . .
C4 C 0.5835(5) 0.1457(5) 0.7827(3) 0.0571(18) Uani 1 1 d . A .
H4 H 0.6500(10) 0.1229(12) 0.8124(7) 0.086(5) Uani 1 1 d . . .
C5 C 0.5761(5) 0.1992(5) 0.7302(3) 0.063(2) Uani 1 1 d . . .
H5 H 0.6355(11) 0.2344(14) 0.7025(7) 0.094(5) Uani 1 1 d . . .
N6 N 0.4702(3) 0.2073(3) 0.71303(19) 0.0446(10) Uani 1 1 d . A .
C7 C 0.4533(4) 0.0645(4) 0.8479(2) 0.0324(12) Uani 1 1 d . A .
C8 C 0.4117(5) 0.1064(4) 0.9012(2) 0.0439(14) Uani 1 1 d U . .
C9 C 0.3807(5) 0.0486(4) 0.9491(3) 0.0481(15) Uani 1 1 d . A .
H9 H 0.3471(14) 0.0818(12) 0.9896(6) 0.098(6) Uani 1 1 d . . .
C10 C 0.3908(5) -0.0481(4) 0.9465(3) 0.0488(15) Uani 1 1 d U . .
C11 C 0.4353(5) -0.0884(5) 0.8939(3) 0.0436(15) Uani 1 1 d . A .
H11 H 0.4471(13) -0.1656(11) 0.8917(6) 0.081(4) Uani 1 1 d . . .
C12 C 0.4678(5) -0.0325(4) 0.8449(3) 0.0480(16) Uani 1 1 d U . .
C13 C 0.3986(6) 0.2147(5) 0.9055(3) 0.069(2) Uani 1 1 d DU A .
H13A H 0.4594(13) 0.2515(12) 0.8868(8) 0.116(4) Uani 1 1 d DU . .
H13B H 0.3307(11) 0.2376(13) 0.8797(8) 0.115(4) Uani 1 1 d DU . .
H13C H 0.3889(15) 0.2336(12) 0.9514(6) 0.116(4) Uani 1 1 d DU . .
C14 C 0.3509(6) -0.1121(5) 0.9982(3) 0.0641(19) Uani 1 1 d DU A .
H14A H 0.3752(13) -0.0866(10) 1.0433(5) 0.101(4) Uani 1 1 d DU . .
H14B H 0.2688(9) -0.1131(12) 0.9976(8) 0.108(4) Uani 1 1 d DU . .
H14C H 0.3762(14) -0.1809(9) 0.9959(8) 0.111(4) Uani 1 1 d DU . .
C15 C 0.5183(6) -0.0756(5) 0.7883(3) 0.072(2) Uani 1 1 d DU A .
H15A H 0.4790(13) -0.0556(11) 0.7463(6) 0.101(4) Uani 1 1 d DU . .
H15B H 0.5954(10) -0.0559(12) 0.7857(8) 0.104(4) Uani 1 1 d DU . .
H15C H 0.5154(13) -0.1488(8) 0.7907(7) 0.101(4) Uani 1 1 d DU . .
C16 C 0.4280(5) 0.2574(4) 0.6582(3) 0.0475(15) Uani 1 1 d . . .
C17 C 0.4222(7) 0.2139(6) 0.6005(3) 0.086(3) Uani 1 1 d U A .
C18 C 0.3836(7) 0.2665(6) 0.5489(3) 0.081(3) Uani 1 1 d . . .
H18 H 0.380(2) 0.2339(18) 0.5021(7) 0.149(11) Uani 1 1 d . . .
C19 C 0.3463(5) 0.3561(5) 0.5543(3) 0.062(2) Uani 1 1 d U A .
C20 C 0.3492(7) 0.3983(6) 0.6137(3) 0.068(2) Uani 1 1 d . . .
H20 H 0.319(2) 0.4696(15) 0.6197(9) 0.119(7) Uani 1 1 d . . .
C21 C 0.3900(6) 0.3503(5) 0.6672(3) 0.0583(17) Uani 1 1 d U A .
C22 C 0.4815(11) 0.1267(8) 0.5907(4) 0.148(4) Uani 1 1 d DU . .
H22A H 0.491(2) 0.0796(13) 0.6274(7) 0.171(6) Uani 1 1 d DU . .
H22B H 0.455(2) 0.0902(14) 0.5504(7) 0.170(6) Uani 1 1 d DU . .
H22C H 0.5550(14) 0.1527(18) 0.5814(12) 0.177(6) Uani 1 1 d DU . .
C23 C 0.2992(7) 0.4106(6) 0.4969(4) 0.092(3) Uani 1 1 d DU . .
H23A H 0.3365(15) 0.3984(14) 0.4567(6) 0.149(5) Uani 1 1 d DU . .
H23B H 0.2204(11) 0.3905(17) 0.4871(9) 0.150(5) Uani 1 1 d DU . .
H23C H 0.293(2) 0.4819(10) 0.5062(8) 0.149(5) Uani 1 1 d DU . .
C24 C 0.3976(9) 0.3977(6) 0.7328(4) 0.103(3) Uani 1 1 d DU . .
H24A H 0.3681(16) 0.4659(10) 0.7299(8) 0.128(4) Uani 1 1 d DU . .
H24B H 0.3583(16) 0.3604(11) 0.7650(7) 0.127(4) Uani 1 1 d DU . .
H24C H 0.4752(11) 0.4018(14) 0.7489(9) 0.131(4) Uani 1 1 d DU . .
B48 B 0.2453(15) 0.0182(9) 0.7352(6) 0.049(4) Uiso 0.50 1 d PU A -1
H48 H 0.280(2) -0.004(2) 0.6711(13) 0.063(6) Uiso 0.50 1 d PU B -1
N49 N 0.2216(8) -0.0579(8) 0.7733(5) 0.066(3) Uiso 0.50 1 d PDU A -1
C50 C 0.2251(12) -0.1575(11) 0.7503(9) 0.097(5) Uiso 0.50 1 d PDU A -1
H50A H 0.237(3) -0.162(2) 0.7011(10) 0.126(8) Uiso 0.50 1 d PDU C -1
H50B H 0.2880(19) -0.1957(17) 0.7710(16) 0.116(9) Uiso 0.50 1 d PDU D -1
H50C H 0.1580(18) -0.1963(18) 0.7569(16) 0.123(8) Uiso 0.50 1 d PDU E -1
C51 C 0.1821(12) -0.0422(10) 0.8389(7) 0.078(4) Uiso 0.50 1 d PDU A -1
H51A H 0.182(2) 0.0250(13) 0.8596(16) 0.100(7) Uiso 0.50 1 d PDU F -1
H51B H 0.1047(15) -0.066(2) 0.8391(15) 0.103(7) Uiso 0.50 1 d PDU G -1
H51C H 0.225(2) -0.0851(19) 0.8703(14) 0.112(7) Uiso 0.50 1 d PDU H -1
B60 B 0.2500 0.3656(6) 0.2500 0.0226(17) Uani 1 2 d S . .
C61 C 0.1880(4) 0.4311(3) 0.2997(2) 0.0258(11) Uani 1 1 d . . .
C62 C 0.2328(4) 0.5141(3) 0.3261(2) 0.0258(11) Uani 1 1 d . . .
H62 H 0.3079(9) 0.5371(8) 0.3087(5) 0.053(3) Uani 1 1 d . . .
C63 C 0.1880(4) 0.5632(3) 0.3742(2) 0.0281(11) Uani 1 1 d . . .
C64 C 0.0947(4) 0.5343(4) 0.3986(3) 0.0359(13) Uani 1 1 d . . .
H64A H 0.0604(11) 0.5714(10) 0.4348(6) 0.064(3) Uani 1 1 d . . .
C65 C 0.0469(4) 0.4523(4) 0.3727(2) 0.0359(13) Uani 1 1 d U I .
C66 C 0.0941(4) 0.4011(4) 0.3256(2) 0.0306(12) Uani 1 1 d . . .
H66 H 0.0581(9) 0.3369(10) 0.3080(6) 0.062(4) Uani 1 1 d . . .
C67 C 0.2434(5) 0.6490(4) 0.4020(2) 0.0442(15) Uani 1 1 d D . .
F68 F 0.3474(7) 0.6403(7) 0.4040(6) 0.104(4) Uani 1 1 d D . .
F69 F 0.2223(9) 0.6662(7) 0.4599(4) 0.096(4) Uani 1 1 d D . .
F70 F 0.2260(12) 0.7245(7) 0.3675(6) 0.118(5) Uani 1 1 d D . .
C71 C -0.0511(5) 0.4158(5) 0.3998(3) 0.0607(17) Uani 1 1 d DU . .
F72 F -0.0260(9) 0.3566(10) 0.4499(6) 0.085(4) Uani 0.752(17) 1 d PDU I 1
F73 F -0.1087(10) 0.4811(9) 0.4245(7) 0.086(4) Uani 0.752(17) 1 d PDU I 1
F74 F -0.1071(9) 0.3615(10) 0.3609(5) 0.078(4) Uani 0.752(17) 1 d PDU I 1
F721 F -0.053(3) 0.3275(12) 0.4174(18) 0.078(4) Uiso 0.248(17) 1 d PDU I 2
F731 F -0.079(4) 0.468(2) 0.4478(12) 0.078(4) Uiso 0.248(17) 1 d PDU I 2
F741 F -0.122(2) 0.430(3) 0.3527(12) 0.078(4) Uiso 0.248(17) 1 d PDU I 2
C75 C 0.1715(4) 0.3007(4) 0.2042(2) 0.0280(11) Uani 1 1 d . . .
C76 C 0.0705(4) 0.3303(4) 0.1823(2) 0.0355(12) Uani 1 1 d . . .
H76 H 0.0403(10) 0.3955(9) 0.1984(6) 0.058(3) Uani 1 1 d . . .
C77 C 0.0099(5) 0.2750(4) 0.1393(3) 0.0439(14) Uani 1 1 d U J .
C78 C 0.0460(5) 0.1897(4) 0.1165(2) 0.0436(15) Uani 1 1 d . . .
H78 H -0.0016(11) 0.1477(10) 0.0833(6) 0.073(4) Uani 1 1 d . . .
C79 C 0.1478(4) 0.1612(4) 0.1366(2) 0.0331(12) Uani 1 1 d . . .
C80 C 0.2078(5) 0.2164(4) 0.1792(2) 0.0293(12) Uani 1 1 d . . .
H80 H 0.2869(10) 0.1913(8) 0.1929(5) 0.046(3) Uani 1 1 d . . .
C81 C -0.0950(6) 0.3132(5) 0.1157(3) 0.0767(19) Uani 1 1 d DU . .
F82 F -0.104(5) 0.333(5) 0.0541(10) 0.085(5) Uiso 0.15(2) 1 d PDU J 1
F83 F -0.136(5) 0.386(3) 0.145(3) 0.085(5) Uiso 0.15(2) 1 d PDU J 1
F84 F -0.161(4) 0.241(3) 0.124(3) 0.085(5) Uiso 0.15(2) 1 d PDU J 1
F821 F -0.0824(11) 0.3824(10) 0.0721(6) 0.097(4) Uani 0.85(2) 1 d PDU J 2
F831 F -0.1479(9) 0.3505(10) 0.1612(5) 0.081(3) Uani 0.85(2) 1 d PDU J 2
F841 F -0.1536(10) 0.2490(8) 0.0858(8) 0.099(4) Uani 0.85(2) 1 d PDU J 2
C85 C 0.1924(4) 0.0704(4) 0.1135(2) 0.0424(14) Uani 1 1 d D . .
F86 F 0.1919(7) 0.0023(5) 0.1563(4) 0.062(2) Uani 1 1 d D . .
F87 F 0.2924(6) 0.0805(6) 0.0998(4) 0.075(3) Uani 1 1 d D . .
F88 F 0.1413(7) 0.0383(6) 0.0609(3) 0.063(2) Uani 1 1 d D . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0000 0.0000 '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 0.0000 -0.2130 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0000 0.0000 '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
B48 Rh1 B48 18.5(8) 2_556 .
B48 Rh1 C2 90.5(6) 2_556 .
B48 Rh1 C2 93.5(6) . .
B48 Rh1 C2 93.5(6) 2_556 2_556
B48 Rh1 C2 90.5(6) . 2_556
C2 Rh1 C2 176.0(5) . 2_556
B48 Rh1 H1 77.4(15) 2_556 .
B48 Rh1 H1 95.5(15) . .
C2 Rh1 H1 93.0(10) . .
C2 Rh1 H1 87.2(10) 2_556 .
N6 C2 N3 103.6(4) . .
N6 C2 Rh1 127.0(4) . .
N3 C2 Rh1 129.4(4) . .
C2 N3 C4 111.0(4) . .
C2 N3 C7 123.7(4) . .
C4 N3 C7 125.2(4) . .
C5 C4 N3 106.7(5) . .
C5 C4 H4 131.9(9) . .
N3 C4 H4 121.4(9) . .
C4 C5 N6 106.6(5) . .
C4 C5 H5 132.6(10) . .
N6 C5 H5 120.8(9) . .
C2 N6 C5 112.1(4) . .
C2 N6 C16 123.3(4) . .
C5 N6 C16 124.6(4) . .
C12 C7 C8 120.8(4) . .
C12 C7 N3 119.2(4) . .
C8 C7 N3 120.0(5) . .
C9 C8 C7 118.4(5) . .
C9 C8 C13 120.6(5) . .
C7 C8 C13 120.9(5) . .
C10 C9 C8 122.1(5) . .
C10 C9 H9 120.2(11) . .
C8 C9 H9 117.7(11) . .
C9 C10 C11 118.7(5) . .
C9 C10 C14 121.7(5) . .
C11 C10 C14 119.6(6) . .
C12 C11 C10 120.9(6) . .
C12 C11 H11 119.1(8) . .
C10 C11 H11 120.0(8) . .
C11 C12 C7 119.0(5) . .
C11 C12 C15 121.3(6) . .
C7 C12 C15 119.8(5) . .
C8 C13 H13A 113.0(11) . .
C8 C13 H13B 111.4(11) . .
H13A C13 H13B 105.1(13) . .
C8 C13 H13C 109.5(11) . .
H13A C13 H13C 111.6(13) . .
H13B C13 H13C 105.9(13) . .
C10 C14 H14A 110.8(9) . .
C10 C14 H14B 111.9(9) . .
H14A C14 H14B 105.0(12) . .
C10 C14 H14C 114.2(10) . .
H14A C14 H14C 106.9(12) . .
H14B C14 H14C 107.6(12) . .
C12 C15 H15A 111.2(9) . .
C12 C15 H15B 112.5(10) . .
H15A C15 H15B 107.4(12) . .
C12 C15 H15C 110.0(9) . .
H15A C15 H15C 107.4(12) . .
H15B C15 H15C 108.1(12) . .
C17 C16 C21 122.4(5) . .
C17 C16 N6 119.9(5) . .
C21 C16 N6 117.6(5) . .
C16 C17 C18 117.4(6) . .
C16 C17 C22 120.2(6) . .
C18 C17 C22 120.1(6) . .
C19 C18 C17 123.0(7) . .
C19 C18 H18 118.1(11) . .
C17 C18 H18 118.8(12) . .
C18 C19 C20 118.9(6) . .
C18 C19 C23 121.7(7) . .
C20 C19 C23 119.4(6) . .
C19 C20 C21 121.0(7) . .
C19 C20 H20 120.6(12) . .
C21 C20 H20 118.4(13) . .
C20 C21 C16 117.2(6) . .
C20 C21 C24 121.3(7) . .
C16 C21 C24 121.4(6) . .
C17 C22 H22A 118.5(13) . .
C17 C22 H22B 112.8(12) . .
H22A C22 H22B 108.6(14) . .
C17 C22 H22C 101.9(13) . .
H22A C22 H22C 108.0(14) . .
H22B C22 H22C 106.1(14) . .
C19 C23 H23A 113.5(11) . .
C19 C23 H23B 110.3(10) . .
H23A C23 H23B 106.2(14) . .
C19 C23 H23C 111.8(11) . .
H23A C23 H23C 111.7(14) . .
H23B C23 H23C 102.7(14) . .
C21 C24 H24A 110.4(11) . .
C21 C24 H24B 111.8(11) . .
H24A C24 H24B 109.4(13) . .
C21 C24 H24C 109.5(11) . .
H24A C24 H24C 107.8(14) . .
H24B C24 H24C 107.9(14) . .
N49 B48 Rh1 132.7(10) . .
N49 B48 H48 116.7(15) . .
Rh1 B48 H48 110.5(14) . .
B48 N49 C50 122.1(11) . .
B48 N49 C51 120.8(10) . .
C50 N49 C51 116.9(10) . .
N49 C50 H50A 112.7(15) . .
N49 C50 H50B 113.0(16) . .
H50A C50 H50B 103.4(17) . .
N49 C50 H50C 114.7(16) . .
H50A C50 H50C 105.2(18) . .
H50B C50 H50C 106.9(17) . .
N49 C51 H51A 122(2) . .
N49 C51 H51B 109(2) . .
H51A C51 H51B 105.5(17) . .
N49 C51 H51C 108(2) . .
H51A C51 H51C 106.2(17) . .
H51B C51 H51C 105.7(17) . .
C75 B60 C75 111.6(6) . 2
C75 B60 C61 103.8(2) . 2
C75 B60 C61 113.4(2) 2 2
C75 B60 C61 113.4(2) . .
C75 B60 C61 103.8(2) 2 .
C61 B60 C61 111.1(6) 2 .
C62 C61 C66 115.5(4) . .
C62 C61 B60 121.8(4) . .
C66 C61 B60 122.1(5) . .
C63 C62 C61 122.4(4) . .
C63 C62 H62 120.3(7) . .
C61 C62 H62 117.2(7) . .
C62 C63 C64 121.7(5) . .
C62 C63 C67 119.3(4) . .
C64 C63 C67 119.1(4) . .
C63 C64 C65 117.5(5) . .
C63 C64 H64A 121.9(9) . .
C65 C64 H64A 120.6(9) . .
C66 C65 C64 120.7(5) . .
C66 C65 C71 119.9(5) . .
C64 C65 C71 119.2(4) . .
C65 C66 C61 122.1(5) . .
C65 C66 H66 119.6(7) . .
C61 C66 H66 118.3(6) . .
F69 C67 F70 109.7(9) . .
F69 C67 F68 104.3(9) . .
F70 C67 F68 103.4(9) . .
F69 C67 C63 113.8(6) . .
F70 C67 C63 112.4(7) . .
F68 C67 C63 112.5(6) . .
F721 C71 F74 66.4(16) . .
F721 C71 F73 123.1(19) . .
F74 C71 F73 111.6(9) . .
F721 C71 F741 109.7(14) . .
F74 C71 F741 44.6(15) . .
F73 C71 F741 79.6(16) . .
F721 C71 F731 108.2(14) . .
F74 C71 F731 131(2) . .
F73 C71 F731 27.6(16) . .
F741 C71 F731 106.9(14) . .
F721 C71 F72 37.2(15) . .
F74 C71 F72 102.8(8) . .
F73 C71 F72 103.5(8) . .
F741 C71 F72 142.3(18) . .
F731 C71 F72 79.2(15) . .
F721 C71 C65 117.8(18) . .
F74 C71 C65 113.5(6) . .
F73 C71 C65 114.2(8) . .
F741 C71 C65 102.1(18) . .
F731 C71 C65 112(2) . .
F72 C71 C65 110.1(7) . .
C80 C75 C76 116.5(5) . .
C80 C75 B60 120.0(4) . .
C76 C75 B60 123.1(5) . .
C77 C76 C75 120.6(5) . .
C77 C76 H76 119.8(8) . .
C75 C76 H76 119.6(8) . .
C78 C77 C76 122.1(5) . .
C78 C77 C81 120.3(5) . .
C76 C77 C81 117.6(5) . .
C77 C78 C79 117.6(5) . .
C77 C78 H78 121.3(9) . .
C79 C78 H78 121.0(9) . .
C80 C79 C78 120.1(5) . .
C80 C79 C85 119.2(5) . .
C78 C79 C85 120.7(5) . .
C79 C80 C75 122.9(5) . .
C79 C80 H80 117.1(7) . .
C75 C80 H80 120.0(7) . .
F841 C81 F831 109.1(9) . .
F841 C81 F83 122(3) . .
F831 C81 F83 28(3) . .
F841 C81 F82 70(3) . .
F831 C81 F82 128(3) . .
F83 C81 F82 106.4(17) . .
F841 C81 F84 36(3) . .
F831 C81 F84 82(3) . .
F83 C81 F84 105.5(16) . .
F82 C81 F84 105.2(16) . .
F841 C81 F821 104.8(8) . .
F831 C81 F821 107.1(8) . .
F83 C81 F821 80(3) . .
F82 C81 F821 36(3) . .
F84 C81 F821 137(3) . .
F841 C81 C77 112.5(8) . .
F831 C81 C77 112.6(7) . .
F83 C81 C77 119(3) . .
F82 C81 C77 115(3) . .
F84 C81 C77 104(3) . .
F821 C81 C77 110.4(8) . .
F86 C85 F87 105.6(8) . .
F86 C85 F88 107.5(6) . .
F87 C85 F88 106.4(6) . .
F86 C85 C79 112.7(5) . .
F87 C85 C79 111.4(6) . .
F88 C85 C79 112.7(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 B48 1.963(15) 2_556
Rh1 B48 1.963(15) .
Rh1 C2 2.036(5) .
Rh1 C2 2.036(5) 2_556
Rh1 H1 1.40(2) .
C2 N6 1.358(6) .
C2 N3 1.369(6) .
N3 C4 1.398(7) .
N3 C7 1.420(6) .
C4 C5 1.345(9) .
C4 H4 1.077(17) .
C5 N6 1.386(8) .
C5 H5 1.104(15) .
N6 C16 1.439(7) .
C7 C12 1.389(8) .
C7 C8 1.407(7) .
C8 C9 1.380(8) .
C8 C13 1.547(9) .
C9 C10 1.377(8) .
C9 H9 1.089(14) .
C10 C11 1.402(8) .
C10 C14 1.530(9) .
C11 C12 1.389(8) .
C11 H11 1.106(19) .
C12 C15 1.522(9) .
C13 H13A 1.033(13) .
C13 H13B 1.049(14) .
C13 H13C 1.023(13) .
C14 H14A 1.052(12) .
C14 H14B 1.048(13) .
C14 H14C 1.029(13) .
C15 H15A 1.035(13) .
C15 H15B 1.027(13) .
C15 H15C 1.039(13) .
C16 C17 1.368(9) .
C16 C21 1.420(9) .
C17 C18 1.389(9) .
C17 C22 1.470(11) .
C18 C19 1.363(10) .
C18 H18 1.09(2) .
C19 C20 1.393(10) .
C19 C23 1.533(10) .
C20 C21 1.396(9) .
C20 H20 1.09(3) .
C21 C24 1.542(11) .
C22 H22A 1.027(13) .
C22 H22B 1.039(13) .
C22 H22C 1.038(14) .
C23 H23A 1.014(13) .
C23 H23B 1.054(14) .
C23 H23C 1.034(14) .
C24 H24A 1.038(13) .
C24 H24B 1.018(14) .
C24 H24C 1.031(14) .
B48 N49 1.391(17) .
B48 H48 1.49(3) .
N49 C50 1.49(2) .
N49 C51 1.522(18) .
C50 H50A 1.063(15) .
C50 H50B 1.043(15) .
C50 H50C 1.034(15) .
C51 H51A 1.049(15) .
C51 H51B 1.046(15) .
C51 H51C 1.036(15) .
B60 C75 1.637(7) .
B60 C75 1.637(7) 2
B60 C61 1.641(6) 2
B60 C61 1.641(6) .
C61 C62 1.409(7) .
C61 C66 1.413(6) .
C62 C63 1.384(6) .
C62 H62 1.096(12) .
C63 C64 1.388(7) .
C63 C67 1.508(8) .
C64 C65 1.408(8) .
C64 H64A 1.048(16) .
C65 C66 1.398(7) .
C65 C71 1.499(8) .
C66 H66 1.076(16) .
C67 F69 1.295(8) .
C67 F70 1.307(10) .
C67 F68 1.333(9) .
C71 F721 1.305(14) .
C71 F74 1.309(10) .
C71 F73 1.309(10) .
C71 F741 1.326(14) .
C71 F731 1.327(14) .
C71 F72 1.376(10) .
C75 C80 1.397(7) .
C75 C76 1.409(7) .
C76 C77 1.400(8) .
C76 H76 1.066(15) .
C77 C78 1.390(8) .
C77 C81 1.503(9) .
C78 C79 1.403(8) .
C78 H78 1.081(14) .
C79 C80 1.391(7) .
C79 C85 1.500(8) .
C80 H80 1.093(16) .
C81 F841 1.317(10) .
C81 F831 1.320(10) .
C81 F83 1.331(16) .
C81 F82 1.333(16) .
C81 F84 1.347(16) .
C81 F821 1.363(10) .
C85 F86 1.323(9) .
C85 F87 1.334(8) .
C85 F88 1.338(8) .
