#------------------------------------------------------------------------------
#$Date: 2018-09-01 02:01:52 +0300 (Sat, 01 Sep 2018) $
#$Revision: 210271 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/30/09/4300960.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_4300960
loop_
_publ_author_name
'Tang, Yongjun'
'Kassel, W. Scott'
'Zakharov, Lev N.'
'Rheingold, Arnold L.'
'Kemp, Richard A.'
_publ_section_title
;
 Insertion Reactions of Carbon Dioxide into Zn--N Bonds: Syntheses and
 Structures of Tetrameric and Dimeric Alkylzinc Carbamato Complexes
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              359
_journal_page_last               364
_journal_paper_doi               10.1021/ic048830r
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C30 H52 N4 O4 Zn2'
_chemical_formula_weight         663.50
_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                93.746(2)
_cell_angle_beta                 114.231(2)
_cell_angle_gamma                95.017(2)
_cell_formula_units_Z            1
_cell_length_a                   9.2058(10)
_cell_length_b                   9.4827(10)
_cell_length_c                   10.5975(11)
_cell_measurement_temperature    100(2)
_cell_volume                     835.15(15)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.319
_cod_duplicate_entry             4308385
_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               4300960
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
Zn1 Zn 0.014367(19) -0.087533(17) 0.830398(17) 0.01808(8) Uani 1 1 d . . .
N1 N 0.23133(16) -0.11641(14) 0.81219(14) 0.0213(3) Uani 1 1 d . . .
N2 N -0.03153(16) 0.29631(14) 0.83669(13) 0.0185(2) Uani 1 1 d . . .
O1 O 0.05775(14) -0.21725(12) 0.97642(12) 0.0222(2) Uani 1 1 d . . .
O2 O 0.09592(13) 0.11035(11) 0.93838(12) 0.0201(2) Uani 1 1 d . . .
C1 C -0.1718(2) -0.09067(19) 0.64852(17) 0.0253(3) Uani 1 1 d . . .
H1B H -0.2679 -0.0768 0.6639 0.038 Uiso 1 1 calc R . .
H1C H -0.1893 -0.1827 0.5934 0.038 Uiso 1 1 calc R . .
H1D H -0.1505 -0.0140 0.5984 0.038 Uiso 1 1 calc R . .
C2 C 0.00333(17) 0.20385(15) 0.93562(15) 0.0176(3) Uani 1 1 d . . .
C3 C 0.02668(19) 0.28498(17) 0.72756(16) 0.0218(3) Uani 1 1 d . . .
H3A H -0.0669 0.2634 0.6362 0.026 Uiso 1 1 calc R . .
H3B H 0.0905 0.2040 0.7410 0.026 Uiso 1 1 calc R . .
C4 C 0.1295(2) 0.41869(18) 0.72418(19) 0.0259(3) Uani 1 1 d . . .
H4A H 0.0664 0.5011 0.7146 0.031 Uiso 1 1 calc R . .
C5 C 0.2830(2) 0.4504(2) 0.8576(2) 0.0360(4) Uani 1 1 d . . .
H5A H 0.2557 0.4626 0.9375 0.054 Uiso 1 1 calc R . .
H5B H 0.3451 0.5380 0.8535 0.054 Uiso 1 1 calc R . .
H5C H 0.3470 0.3711 0.8676 0.054 Uiso 1 1 calc R . .
C6 C 0.1677(3) 0.3990(2) 0.5974(2) 0.0378(4) Uani 1 1 d . . .
H6A H 0.0673 0.3788 0.5128 0.057 Uiso 1 1 calc R . .
H6B H 0.2309 0.3194 0.6060 0.057 Uiso 1 1 calc R . .
H6C H 0.2292 0.4863 0.5919 0.057 Uiso 1 1 calc R . .
C7 C -0.12963(18) 0.41041(16) 0.83532(16) 0.0193(3) Uani 1 1 d . . .
H7A H -0.0643 0.5032 0.8478 0.023 Uiso 1 1 calc R . .
H7B H -0.1579 0.4070 0.9158 0.023 Uiso 1 1 calc R . .
C8 C -0.2842(2) 0.40313(18) 0.70267(17) 0.0242(3) Uani 1 1 d . . .
H8A H -0.2554 0.4066 0.6215 0.029 Uiso 1 1 calc R . .
C9 C -0.3947(2) 0.2660(2) 0.6805(2) 0.0378(5) Uani 1 1 d . . .
H9A H -0.3391 0.1842 0.6743 0.057 Uiso 1 1 calc R . .
H9B H -0.4916 0.2641 0.5939 0.057 Uiso 1 1 calc R . .
H9C H -0.4247 0.2615 0.7589 0.057 Uiso 1 1 calc R . .
C10 C -0.3663(2) 0.5342(2) 0.7128(2) 0.0317(4) Uani 1 1 d . . .
H10A H -0.4658 0.5316 0.6284 0.048 Uiso 1 1 calc R . .
H10B H -0.2944 0.6206 0.7222 0.048 Uiso 1 1 calc R . .
H10C H -0.3913 0.5342 0.7942 0.048 Uiso 1 1 calc R . .
C11 C 0.2512(2) -0.0802(2) 0.70003(19) 0.0307(4) Uani 1 1 d . . .
H11A H 0.1623 -0.0522 0.6251 0.037 Uiso 1 1 calc R . .
C12 C 0.3956(3) -0.0816(2) 0.6880(2) 0.0378(4) Uani 1 1 d . . .
H12A H 0.4055 -0.0546 0.6069 0.045 Uiso 1 1 calc R . .
C13 C 0.5247(2) -0.1230(2) 0.7968(2) 0.0338(4) Uani 1 1 d . . .
H13A H 0.6252 -0.1248 0.7918 0.041 Uiso 1 1 calc R . .
C14 C 0.5053(2) -0.1614(2) 0.9123(2) 0.0333(4) Uani 1 1 d . . .
H14A H 0.5922 -0.1904 0.9883 0.040 Uiso 1 1 calc R . .
C15 C 0.3568(2) -0.15724(19) 0.91609(19) 0.0276(3) Uani 1 1 d . . .
H15A H 0.3438 -0.1845 0.9959 0.033 Uiso 1 1 calc R . .
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
Zn1 O1 1.9735(11) . ?
Zn1 C1 1.9814(17) . ?
Zn1 O2 2.0401(11) . ?
Zn1 N1 2.1229(13) . ?
N1 C11 1.336(2) . ?
N1 C15 1.337(2) . ?
N2 C2 1.365(2) . ?
N2 C3 1.4624(19) . ?
N2 C7 1.4658(19) . ?
O1 C2 1.2761(19) 2_557 ?
O2 C2 1.2762(18) . ?
C2 O1 1.2761(19) 2_557 ?
C3 C4 1.526(2) . ?
C4 C5 1.522(3) . ?
C4 C6 1.526(2) . ?
C7 C8 1.528(2) . ?
C8 C9 1.521(3) . ?
C8 C10 1.530(2) . ?
C11 C12 1.388(3) . ?
C12 C13 1.383(3) . ?
C13 C14 1.374(3) . ?
C14 C15 1.388(3) . ?
