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#$Date: 2019-09-11 15:49:26 +0300 (Wed, 11 Sep 2019) $
#$Revision: 218191 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/06/20/4062099.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_4062099
loop_
_publ_author_name
'Francis, Matthew D.'
'Hitchcock, Peter B.'
_publ_section_title
;
 Studies of the 24-Electronnido-5-Vertex Clusters [M(η⁴-P₂C₂But₂)]
 (M = Ge, Pb, Sn): Synthesis and Characterization of [M(η⁴-P₂C₂But₂)]
 (M = Ge, Pb), [Sn(η⁴-P₂C₂But₂){W(CO)₅}ₙ] (n= 1, 2), and
 [I₂GeP₂C₂But₂] and the Mössbauer Spectrum of
 [Sn(η⁴-P₂C₂But₂)]}
;
_journal_coden_ASTM              ORGND7
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              2891
_journal_page_last               2896
_journal_paper_doi               10.1021/om030186l
_journal_volume                  22
_journal_year                    2003
_chemical_formula_moiety         'C10 H18 P2 Pb1'
_chemical_formula_structural     'C10 H18 P2 PB'
_chemical_formula_sum            'C10 H18 P2 Pb'
_chemical_formula_weight         407.37
_chemical_name_common            '[Pb(P2C2tBu2)]'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.014(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.8240(19)
_cell_length_b                   6.0564(6)
_cell_length_c                   10.6501(7)
_cell_measurement_temperature    173(2)
_cell_volume                     1271.64(19)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    2.128
_cod_depositor_comments
;
 Updated bibliographical information.

 Antanas Vaitkus,
 2019-09-11
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4062099
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
Pb Pb 0 0.08648(5) 0.25 0.0338(2) Uani 1 2 d S . .
P P -0.02028(8) -0.3006(3) 0.36699(13) 0.0241(3) Uani 1 1 d . . .
C1 C 0.0578(3) -0.2843(9) 0.2948(5) 0.0197(10) Uani 1 1 d . . .
C2 C 0.1306(3) -0.3028(9) 0.3500(5) 0.0203(11) Uani 1 1 d . . .
C3 C 0.1495(4) -0.5483(11) 0.3657(7) 0.0286(13) Uani 1 1 d . . .
H3A H 0.1435 -0.6212 0.2831 0.043 Uiso 1 1 calc R . .
H3B H 0.1201 -0.6187 0.4224 0.043 Uiso 1 1 calc R . .
H3C H 0.1969 -0.5613 0.4014 0.043 Uiso 1 1 calc R . .
C4 C 0.1402(3) -0.1937(12) 0.4809(6) 0.0312(14) Uani 1 1 d . . .
H4A H 0.1114 -0.2682 0.5373 0.047 Uiso 1 1 calc R . .
H4B H 0.1274 -0.0376 0.4732 0.047 Uiso 1 1 calc R . .
H4C H 0.1878 -0.2056 0.5156 0.047 Uiso 1 1 calc R . .
C5 C 0.1777(3) -0.1929(12) 0.2625(6) 0.0319(14) Uani 1 1 d . . .
H5A H 0.1655 -0.0369 0.2512 0.048 Uiso 1 1 calc R . .
H5B H 0.1729 -0.2672 0.1803 0.048 Uiso 1 1 calc R . .
H5C H 0.2248 -0.2047 0.3003 0.048 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
Pb C1 2.544(6) 2 ?
Pb C1 2.544(6) . ?
Pb P 2.7044(16) 2 ?
Pb P 2.7044(16) . ?
P C1 1.807(5) 2 ?
P C1 1.802(6) . ?
P P 2.697(3) 2 ?
C1 C2 1.503(8) . ?
C1 P 1.807(5) 2 ?
C2 C4 1.536(8) . ?
C2 C5 1.539(8) . ?
C2 C3 1.538(9) . ?
