#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/19/4061906.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_4061906
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C35 H42 B N6 Rh'
_chemical_formula_weight         660.47
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                65.288(7)
_cell_angle_beta                 76.741(7)
_cell_angle_gamma                79.880(6)
_cell_formula_units_Z            2
_cell_length_a                   9.9159(7)
_cell_length_b                   12.7807(8)
_cell_length_c                   13.8793(12)
_cell_measurement_temperature    100(2)
_cell_volume                     1548.9(2)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.416
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4061906
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.193362(14) -0.244759(12) 0.247983(11) 0.01390(5) Uani 1 d . . .
N1 N 0.23864(15) -0.39743(13) 0.10033(12) 0.0162(3) Uani 1 d . . .
N2 N 0.25652(15) -0.50982(13) 0.17139(12) 0.0168(3) Uani 1 d . . .
N3 N 0.44370(14) -0.36209(13) 0.15776(11) 0.0149(3) Uani 1 d . . .
N4 N 0.39779(15) -0.32232(13) 0.23813(12) 0.0158(3) Uani 1 d . . .
N5 N 0.32302(15) -0.19241(13) 0.02090(11) 0.0165(3) Uani 1 d . . .
N6 N 0.27099(14) -0.13747(13) 0.09060(11) 0.0152(3) Uani 1 d . . .
C1 C 0.0733(2) -0.2663(2) -0.02296(18) 0.0263(5) Uani 1 d . . .
H1A H 0.059(3) -0.205(2) 0.001(2) 0.047(8) Uiso 1 d . . .
H1B H -0.015(3) -0.276(2) -0.0393(18) 0.033(6) Uiso 1 d . . .
H1C H 0.144(2) -0.243(2) -0.0890(19) 0.029(6) Uiso 1 d . . .
C2 C 0.11958(18) -0.37894(17) 0.06036(15) 0.0195(4) Uani 1 d . . .
C3 C 0.05630(19) -0.48014(18) 0.10849(15) 0.0211(4) Uani 1 d . . .
H3A H -0.027(2) -0.4909(19) 0.0944(17) 0.027(6) Uiso 1 d . . .
C4 C 0.14547(18) -0.55978(17) 0.17682(14) 0.0171(4) Uani 1 d . . .
C5 C 0.13383(19) -0.68324(17) 0.24473(14) 0.0191(4) Uani 1 d . . .
C6 C 0.0121(2) -0.73534(19) 0.26265(16) 0.0242(4) Uani 1 d . . .
H6A H -0.064(2) -0.6882(19) 0.2309(17) 0.025(6) Uiso 1 d . . .
C7 C 0.0047(2) -0.8530(2) 0.32455(17) 0.0293(5) Uani 1 d . . .
H7A H -0.081(3) -0.887(2) 0.3361(19) 0.039(7) Uiso 1 d . . .
C8 C 0.1172(2) -0.9208(2) 0.36946(17) 0.0283(5) Uani 1 d . . .
H8A H 0.114(2) -1.004(2) 0.4118(18) 0.028(6) Uiso 1 d . . .
C9 C 0.2377(2) -0.86992(19) 0.35322(17) 0.0288(5) Uani 1 d . . .
H9A H 0.320(3) -0.920(2) 0.3839(19) 0.037(7) Uiso 1 d . . .
C10 C 0.2457(2) -0.75305(18) 0.29134(16) 0.0235(4) Uani 1 d . . .
H10A H 0.330(2) -0.719(2) 0.2794(18) 0.029(6) Uiso 1 d . . .
C11 C 0.6404(2) -0.48700(19) 0.10025(17) 0.0239(4) Uani 1 d . . .
H11A H 0.580(3) -0.537(2) 0.100(2) 0.043(7) Uiso 1 d . . .
H11B H 0.715(3) -0.540(2) 0.133(2) 0.042(7) Uiso 1 d . . .
H11C H 0.673(3) -0.434(2) 0.028(2) 0.041(7) Uiso 1 d . . .
C12 C 0.56861(17) -0.42409(16) 0.17012(15) 0.0177(4) Uani 1 d . . .
C13 C 0.60726(18) -0.42031(17) 0.25785(15) 0.0195(4) Uani 1 d . . .
H13A H 0.691(2) -0.4565(19) 0.2851(17) 0.026(6) Uiso 1 d . . .
C14 C 0.49925(17) -0.35377(15) 0.29791(14) 0.0159(4) Uani 1 d . . .
C15 C 0.49389(18) -0.31762(16) 0.38675(14) 0.0172(4) Uani 1 d . . .
C16 C 0.57623(19) -0.38128(17) 0.46582(15) 0.0193(4) Uani 1 d . . .
H16A H 0.631(2) -0.449(2) 0.4610(17) 0.025(6) Uiso 1 d . . .
C17 C 0.5727(2) -0.35079(18) 0.55115(16) 0.0240(4) Uani 1 d . . .
H17A H 0.630(2) -0.398(2) 0.6046(19) 0.031(6) Uiso 1 d . . .
C18 C 0.4865(2) -0.2563(2) 0.55972(18) 0.0280(5) Uani 1 d . . .
H18A H 0.485(3) -0.235(2) 0.619(2) 0.041(7) Uiso 1 d . . .
C19 C 0.4051(2) -0.1910(2) 0.48131(18) 0.0296(5) Uani 1 d . . .
H19A H 0.348(3) -0.126(2) 0.4879(19) 0.038(7) Uiso 1 d . . .
C20 C 0.4101(2) -0.22042(17) 0.39486(16) 0.0239(4) Uani 1 d . . .
H20A H 0.351(2) -0.1728(19) 0.3402(17) 0.027(6) Uiso 1 d . . .
C21 C 0.3599(3) -0.0430(2) -0.27911(18) 0.0360(6) Uani 1 d . . .
H21A H 0.398(3) -0.065(2) -0.343(2) 0.040(7) Uiso 1 d . . .
H21B H 0.390(3) 0.032(3) -0.295(2) 0.059(9) Uiso 1 d . . .
H21C H 0.254(3) -0.033(3) -0.272(2) 0.067(9) Uiso 1 d . . .
C22 C 0.4075(2) -0.1375(2) -0.17875(16) 0.0289(5) Uani 1 d . . .
H22A H 0.378(3) -0.216(2) -0.1663(19) 0.035(7) Uiso 1 d . . .
H22B H 0.506(3) -0.153(2) -0.186(2) 0.045(7) Uiso 1 d . . .
C23 C 0.35171(19) -0.11009(17) -0.08078(14) 0.0216(4) Uani 1 d . . .
C24 C 0.3203(2) -0.00311(18) -0.07533(15) 0.0235(4) Uani 1 d . . .
H24A H 0.331(2) 0.072(2) -0.1315(19) 0.032(6) Uiso 1 d . . .
C25 C 0.27108(18) -0.02334(16) 0.03373(14) 0.0189(4) Uani 1 d . . .
C26 C 0.2302(2) 0.06084(17) 0.08664(16) 0.0216(4) Uani 1 d . . .
H26A H 0.263(2) 0.027(2) 0.1552(19) 0.031(6) Uiso 1 d . . .
H26B H 0.131(3) 0.078(2) 0.0977(18) 0.032(6) Uiso 1 d . . .
C27 C 0.2960(2) 0.17457(19) 0.02116(18) 0.0274(5) Uani 1 d . . .
H27A H 0.274(2) 0.230(2) 0.0626(18) 0.030(6) Uiso 1 d . . .
H27B H 0.260(2) 0.2173(19) -0.0454(18) 0.028(6) Uiso 1 d . . .
H27C H 0.398(3) 0.160(2) 0.0039(19) 0.033(6) Uiso 1 d . . .
C31 C 0.0494(2) -0.28081(19) 0.47634(15) 0.0238(4) Uani 1 d . . .
H31A H 0.109(2) -0.2444(19) 0.4939(17) 0.025(6) Uiso 1 d . . .
H31B H -0.004(2) -0.3308(19) 0.5421(18) 0.027(6) Uiso 1 d . . .
C32 C 0.14150(19) -0.34921(16) 0.41638(14) 0.0188(4) Uani 1 d . . .
H32A H 0.229(2) -0.3795(18) 0.4410(17) 0.024(6) Uiso 1 d . . .
C33 C 0.09526(18) -0.39646(16) 0.35705(14) 0.0167(4) Uani 1 d . . .
H33A H 0.156(2) -0.4561(17) 0.3384(15) 0.012(5) Uiso 1 d . . .
C34 C -0.05668(19) -0.38999(18) 0.34963(15) 0.0197(4) Uani 1 d . . .
H34A H -0.114(2) -0.3919(18) 0.4175(17) 0.018(5) Uiso 1 d . . .
H34B H -0.069(2) -0.462(2) 0.3443(17) 0.023(6) Uiso 1 d . . .
C35 C -0.10079(19) -0.28341(17) 0.25297(15) 0.0199(4) Uani 1 d . . .
H35A H -0.090(2) -0.307(2) 0.1933(19) 0.028(6) Uiso 1 d . . .
H35B H -0.197(2) -0.2568(19) 0.2702(18) 0.029(6) Uiso 1 d . . .
C36 C -0.01413(17) -0.18340(16) 0.21830(15) 0.0171(4) Uani 1 d . . .
H36A H -0.0032(19) -0.1341(16) 0.1439(15) 0.011(5) Uiso 1 d . . .
C37 C 0.01214(18) -0.14093(17) 0.28854(15) 0.0182(4) Uani 1 d . . .
H37A H 0.038(2) -0.069(2) 0.2623(17) 0.022(6) Uiso 1 d . . .
C38 C -0.0495(2) -0.18734(18) 0.40808(15) 0.0220(4) Uani 1 d . . .
H38A H -0.141(2) -0.2176(18) 0.4189(16) 0.019(5) Uiso 1 d . . .
H38B H -0.072(2) -0.125(2) 0.4318(17) 0.022(6) Uiso 1 d . . .
B1 B 0.3654(2) -0.32495(18) 0.06224(16) 0.0164(4) Uani 1 d . . .
H10B H 0.438(2) -0.3432(17) -0.0044(15) 0.015(5) Uiso 1 d . . .
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 N6 2.0831(14) . ?
Rh1 N4 2.0953(15) . ?
Rh1 C33 2.1284(17) . ?
Rh1 C36 2.1377(17) . ?
Rh1 C32 2.1425(17) . ?
Rh1 C37 2.1516(18) . ?
N1 C2 1.360(2) . ?
N1 N2 1.369(2) . ?
N1 B1 1.553(2) . ?
N2 C4 1.340(2) . ?
N3 C12 1.353(2) . ?
N3 N4 1.367(2) . ?
N3 B1 1.550(2) . ?
N4 C14 1.351(2) . ?
N5 C23 1.363(2) . ?
N5 N6 1.381(2) . ?
N5 B1 1.557(3) . ?
N6 C25 1.337(2) . ?
C1 C2 1.496(3) . ?
C2 C3 1.372(3) . ?
C3 C4 1.407(3) . ?
C4 C5 1.470(3) . ?
C5 C10 1.394(3) . ?
C5 C6 1.403(2) . ?
C6 C7 1.391(3) . ?
C7 C8 1.383(3) . ?
C8 C9 1.389(3) . ?
C9 C10 1.383(3) . ?
C11 C12 1.493(3) . ?
C12 C13 1.379(3) . ?
C13 C14 1.408(3) . ?
C14 C15 1.475(3) . ?
C15 C20 1.399(3) . ?
C15 C16 1.401(2) . ?
C16 C17 1.385(3) . ?
C17 C18 1.384(3) . ?
C18 C19 1.392(3) . ?
C19 C20 1.388(3) . ?
C21 C22 1.522(3) . ?
C22 C23 1.504(3) . ?
C23 C24 1.378(3) . ?
C24 C25 1.405(3) . ?
C25 C26 1.494(3) . ?
C26 C27 1.524(3) . ?
C31 C32 1.507(3) . ?
C31 C38 1.535(3) . ?
C32 C33 1.392(3) . ?
C33 C34 1.519(2) . ?
C34 C35 1.542(3) . ?
C35 C36 1.512(3) . ?
C36 C37 1.386(3) . ?
C37 C38 1.522(3) . ?
