#------------------------------------------------------------------------------
#$Date: 2018-08-19 23:44:13 +0300 (Sun, 19 Aug 2018) $
#$Revision: 209948 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/06/09/4060990.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_4060990
loop_
_publ_author_name
'Wanniarachchi, Yoshitha A.'
'Khan, Masood A.'
'Slaughter, LeGrande M.'
_publ_section_title
;
 An Unusually Static, Sterically Hindered Silver Bis(N-heterocyclic carbene)
 Complex and Its Use in Transmetalation
;
_journal_coden_ASTM              ORGND7
_journal_issue                   25
_journal_name_full               Organometallics
_journal_page_first              5881
_journal_page_last               5884
_journal_paper_doi               10.1021/om0493098
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C34 H42 B Cl2 F4 N4 Rh'
_chemical_formula_weight         767.34
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 115.776(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.605(3)
_cell_length_b                   13.365(2)
_cell_length_c                   16.052(2)
_cell_measurement_temperature    103(2)
_cell_volume                     3401.1(9)
_diffrn_ambient_temperature      103(2)
_exptl_crystal_density_diffrn    1.499
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4060990
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh -0.696879(14) 0.187742(17) -0.279641(15) 0.01508(6) Uani 1 1 d . . .
N1 N -0.68149(16) 0.03290(19) -0.42241(17) 0.0173(5) Uani 1 1 d . . .
N2 N -0.58399(16) 0.1423(2) -0.36992(17) 0.0181(5) Uani 1 1 d . . .
N3 N -0.58108(15) 0.31291(19) -0.32810(17) 0.0172(5) Uani 1 1 d . . .
N4 N -0.68082(16) 0.4116(2) -0.34072(17) 0.0178(5) Uani 1 1 d . . .
C1 C -0.6626(2) -0.1617(3) -0.3311(2) 0.0282(7) Uani 1 1 d . . .
H1A H -0.6630 -0.1738 -0.2710 0.042 Uiso 1 1 calc R . .
H1B H -0.6176 -0.1142 -0.3233 0.042 Uiso 1 1 calc R . .
H1C H -0.6528 -0.2249 -0.3558 0.042 Uiso 1 1 calc R . .
C2 C -0.7466(2) -0.1187(2) -0.3975(2) 0.0205(6) Uani 1 1 d . . .
C3 C -0.8203(2) -0.1726(3) -0.4165(2) 0.0266(7) Uani 1 1 d . . .
H3A H -0.8162 -0.2343 -0.3855 0.032 Uiso 1 1 calc R . .
C4 C -0.8987(2) -0.1395(3) -0.4787(2) 0.0284(7) Uani 1 1 d . . .
C5 C -0.9765(3) -0.1997(3) -0.4971(3) 0.0409(10) Uani 1 1 d . . .
H5A H -0.9743 -0.2234 -0.4384 0.061 Uiso 1 1 calc R . .
H5B H -0.9793 -0.2572 -0.5363 0.061 Uiso 1 1 calc R . .
H5C H -1.0266 -0.1577 -0.5287 0.061 Uiso 1 1 calc R . .
C6 C -0.9046(2) -0.0496(3) -0.5258(2) 0.0250(7) Uani 1 1 d . . .
H6A H -0.9583 -0.0268 -0.5697 0.030 Uiso 1 1 calc R . .
C7 C -0.8328(2) 0.0072(2) -0.5093(2) 0.0203(6) Uani 1 1 d . . .
C8 C -0.8395(2) 0.1007(3) -0.5649(2) 0.0243(7) Uani 1 1 d . . .
H8A H -0.8073 0.1548 -0.5233 0.036 Uiso 1 1 calc R . .
H8B H -0.8989 0.1205 -0.5978 0.036 Uiso 1 1 calc R . .
H8C H -0.8168 0.0875 -0.6098 0.036 Uiso 1 1 calc R . .
C9 C -0.75539(19) -0.0275(2) -0.4428(2) 0.0181(6) Uani 1 1 d . . .
C10 C -0.6276(2) 0.0145(3) -0.4634(2) 0.0227(7) Uani 1 1 d . . .
H10A H -0.6331 -0.0370 -0.5064 0.027 Uiso 1 1 calc R . .
C11 C -0.56616(19) 0.0838(3) -0.4304(2) 0.0222(7) Uani 1 1 d . . .
H11A H -0.5199 0.0912 -0.4454 0.027 Uiso 1 1 calc R . .
C12 C -0.65558(18) 0.1135(2) -0.3643(2) 0.0170(6) Uani 1 1 d . . .
C13 C -0.53097(18) 0.2230(2) -0.3133(2) 0.0198(6) Uani 1 1 d . . .
H13A H -0.5067 0.2038 -0.2472 0.024 Uiso 1 1 calc R . .
H13B H -0.4839 0.2353 -0.3301 0.024 Uiso 1 1 calc R . .
C14 C -0.56314(19) 0.4043(2) -0.3566(2) 0.0194(6) Uani 1 1 d . . .
H14A H -0.5158 0.4199 -0.3678 0.023 Uiso 1 1 calc R . .
C15 C -0.6261(2) 0.4661(2) -0.3651(2) 0.0206(6) Uani 1 1 d . . .
H15A H -0.6322 0.5341 -0.3841 0.025 Uiso 1 1 calc R . .
C16 C -0.65374(18) 0.3146(2) -0.31791(19) 0.0157(6) Uani 1 1 d . . .
C17 C -0.75345(19) 0.4555(2) -0.3354(2) 0.0177(6) Uani 1 1 d . . .
C18 C -0.7389(2) 0.5276(2) -0.2665(2) 0.0208(6) Uani 1 1 d . . .
C19 C -0.6515(2) 0.5605(3) -0.2017(2) 0.0280(7) Uani 1 1 d . . .
H19A H -0.6544 0.6069 -0.1559 0.042 Uiso 1 1 calc R . .
H19B H -0.6253 0.5942 -0.2369 0.042 Uiso 1 1 calc R . .
H19C H -0.6177 0.5020 -0.1701 0.042 Uiso 1 1 calc R . .
C20 C -0.8090(2) 0.5651(3) -0.2577(2) 0.0253(7) Uani 1 1 d . . .
H20A H -0.8008 0.6138 -0.2115 0.030 Uiso 1 1 calc R . .
C21 C -0.8906(2) 0.5335(3) -0.3147(2) 0.0248(7) Uani 1 1 d . . .
C22 C -0.9649(2) 0.5729(3) -0.3010(3) 0.0351(9) Uani 1 1 d . . .
H22A H -0.9550 0.5622 -0.2367 0.053 Uiso 1 1 calc R . .
H22B H -1.0162 0.5373 -0.3424 0.053 Uiso 1 1 calc R . .
H22C H -0.9717 0.6446 -0.3151 0.053 Uiso 1 1 calc R . .
C23 C -0.9021(2) 0.4630(3) -0.3840(2) 0.0229(7) Uani 1 1 d . . .
H23A H -0.9575 0.4413 -0.4238 0.027 Uiso 1 1 calc R . .
C25 C -0.83386(19) 0.4243(2) -0.3954(2) 0.0198(6) Uani 1 1 d . . .
C26 C -0.8473(2) 0.3452(3) -0.4676(2) 0.0251(7) Uani 1 1 d . . .
H26A H -0.9065 0.3454 -0.5133 0.038 Uiso 1 1 calc R . .
H26B H -0.8329 0.2794 -0.4378 0.038 Uiso 1 1 calc R . .
H26C H -0.8112 0.3594 -0.4985 0.038 Uiso 1 1 calc R . .
C27 C -0.6762(2) 0.0501(2) -0.1993(2) 0.0259(7) Uani 1 1 d . . .
H27A H -0.6511 -0.0054 -0.2209 0.031 Uiso 1 1 calc R . .
C28 C -0.7621(2) 0.0599(2) -0.2499(2) 0.0266(7) Uani 1 1 d . . .
H28A H -0.7874 0.0110 -0.3020 0.032 Uiso 1 1 calc R . .
C29 C -0.8217(2) 0.0928(3) -0.2093(3) 0.0303(8) Uani 1 1 d . . .
H29A H -0.7964 0.0758 -0.1426 0.036 Uiso 1 1 calc R . .
H29B H -0.8753 0.0554 -0.2400 0.036 Uiso 1 1 calc R . .
C30 C -0.8401(2) 0.2047(3) -0.2208(2) 0.0275(7) Uani 1 1 d . . .
H30A H -0.8872 0.2168 -0.2825 0.033 Uiso 1 1 calc R . .
H30B H -0.8586 0.2268 -0.1737 0.033 Uiso 1 1 calc R . .
C31 C -0.7653(2) 0.2673(2) -0.2117(2) 0.0212(6) Uani 1 1 d . . .
H31A H -0.7798 0.3382 -0.2324 0.025 Uiso 1 1 calc R . .
C32 C -0.6827(2) 0.2537(2) -0.1478(2) 0.0203(6) Uani 1 1 d . . .
H32A H -0.6489 0.3168 -0.1312 0.024 Uiso 1 1 calc R . .
C33 C -0.6523(2) 0.1764(3) -0.0710(2) 0.0254(7) Uani 1 1 d . . .
H33A H -0.6980 0.1632 -0.0522 0.030 Uiso 1 1 calc R . .
H33B H -0.6038 0.2042 -0.0168 0.030 Uiso 1 1 calc R . .
C34 C -0.6256(2) 0.0768(3) -0.0984(2) 0.0303(8) Uani 1 1 d . . .
H34A H -0.5652 0.0809 -0.0849 0.036 Uiso 1 1 calc R . .
H34B H -0.6319 0.0226 -0.0598 0.036 Uiso 1 1 calc R . .
B1 B -0.5900(3) -0.2664(3) -0.5068(3) 0.0290(8) Uani 1 1 d . . .
F1 F -0.57844(19) -0.3126(2) -0.57846(19) 0.0523(7) Uani 1 1 d . . .
F2 F -0.52888(15) -0.19439(19) -0.4670(2) 0.0482(7) Uani 1 1 d . . .
F3 F -0.58413(17) -0.33681(18) -0.44104(18) 0.0447(6) Uani 1 1 d . . .
F4 F -0.66892(14) -0.22005(19) -0.54184(17) 0.0394(6) Uani 1 1 d . . .
C35 C -0.1685(3) -0.8290(4) -0.8734(3) 0.0548(14) Uani 1 1 d . . .
H35A H -0.2127 -0.8520 -0.8553 0.066 Uiso 1 1 calc R . .
H35B H -0.1808 -0.7586 -0.8941 0.066 Uiso 1 1 calc R . .
Cl1 Cl -0.17127(7) -0.90283(8) -0.96478(7) 0.0414(2) Uani 1 1 d . . .
Cl2 Cl -0.06883(11) -0.83579(11) -0.77671(11) 0.0796(5) Uani 1 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 C12 2.054(3) . ?
Rh1 C16 2.058(3) . ?
Rh1 C27 2.185(3) . ?
Rh1 C32 2.204(3) . ?
Rh1 C31 2.216(3) . ?
Rh1 C28 2.223(3) . ?
N1 C12 1.367(4) . ?
N1 C10 1.392(4) . ?
N1 C9 1.443(4) . ?
N2 C12 1.358(4) . ?
N2 C11 1.384(4) . ?
N2 C13 1.457(4) . ?
N3 C16 1.358(4) . ?
N3 C14 1.388(4) . ?
N3 C13 1.448(4) . ?
N4 C16 1.375(4) . ?
N4 C15 1.393(4) . ?
N4 C17 1.443(4) . ?
C1 C2 1.511(5) . ?
C2 C9 1.394(4) . ?
C2 C3 1.395(5) . ?
C3 C4 1.378(5) . ?
C4 C6 1.400(5) . ?
C4 C5 1.503(5) . ?
C6 C7 1.398(5) . ?
C7 C9 1.395(4) . ?
C7 C8 1.511(5) . ?
C10 C11 1.346(5) . ?
C14 C15 1.340(5) . ?
C17 C25 1.386(4) . ?
C17 C18 1.403(4) . ?
C18 C20 1.395(5) . ?
C18 C19 1.501(4) . ?
C20 C21 1.392(5) . ?
C21 C23 1.403(5) . ?
C21 C22 1.512(5) . ?
C23 C25 1.392(5) . ?
C25 C26 1.509(5) . ?
C27 C28 1.377(5) . ?
C27 C34 1.513(5) . ?
C28 C29 1.520(5) . ?
C29 C30 1.525(5) . ?
C30 C31 1.512(5) . ?
C31 C32 1.379(4) . ?
C32 C33 1.516(4) . ?
C33 C34 1.537(5) . ?
B1 F2 1.376(5) . ?
B1 F3 1.384(5) . ?
B1 F4 1.397(5) . ?
B1 F1 1.397(5) . ?
C35 Cl1 1.751(5) . ?
C35 Cl2 1.769(5) . ?
