#------------------------------------------------------------------------------
#$Date: 2017-02-14 17:10:21 +0200 (Tue, 14 Feb 2017) $
#$Revision: 192095 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/06/22/4062217.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_4062217
loop_
_publ_author_name
'Köhler, Katrin'
'Eichhorn, Jens'
'Meyer, Franc'
'Vidovic, Denis'
_publ_section_title
;
 Dicopper(I) Oxalate Complexes Stabilized by Lewis Bases: Potential Precursors
 for Copper Deposition
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              4426
_journal_page_last               4432
_journal_paper_doi               10.1021/om0303653
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C14 H20 Cu2 O4'
_chemical_formula_weight         379.38
_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                 108.10(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.837(2)
_cell_length_b                   5.3678(11)
_cell_length_c                   15.316(3)
_cell_measurement_temperature    133(2)
_cell_volume                     768.7(3)
_diffrn_ambient_temperature      133(2)
_exptl_crystal_density_diffrn    1.639
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4062217
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
Cu Cu 0.13758(2) 0.11044(4) 0.579443(14) 0.02289(11) Uani 1 1 d . . .
O1 O 0.13815(14) 0.3349(2) 0.47599(8) 0.0247(3) Uani 1 1 d . . .
O2 O -0.02228(14) 0.3217(2) 0.59023(8) 0.0250(3) Uani 1 1 d . . .
C1 C 0.04635(19) 0.5033(3) 0.46714(11) 0.0210(4) Uani 1 1 d . . .
C2 C 0.4837(2) -0.4349(4) 0.62015(16) 0.0378(5) Uani 1 1 d . . .
H2A H 0.5582 -0.4659 0.5914 0.057 Uiso 1 1 calc R . .
H2B H 0.4266 -0.5863 0.6169 0.057 Uiso 1 1 calc R . .
H2C H 0.5282 -0.3880 0.6846 0.057 Uiso 1 1 calc R . .
C3 C 0.3869(2) -0.2235(4) 0.56954(13) 0.0288(4) Uani 1 1 d . . .
H3A H 0.4461 -0.0757 0.5676 0.035 Uiso 1 1 calc R . .
H3B H 0.3374 -0.2754 0.5055 0.035 Uiso 1 1 calc R . .
C4 C 0.2794(2) -0.1558(3) 0.61478(13) 0.0240(4) Uani 1 1 d . . .
C5 C 0.2078(2) -0.1590(3) 0.66840(13) 0.0235(4) Uani 1 1 d . . .
C6 C 0.1529(2) -0.2291(3) 0.74488(12) 0.0265(4) Uani 1 1 d . . .
H6A H 0.0494 -0.2666 0.7202 0.032 Uiso 1 1 calc R . .
H6B H 0.1652 -0.0875 0.7881 0.032 Uiso 1 1 calc R . .
C7 C 0.2323(2) -0.4573(4) 0.79627(13) 0.0308(4) Uani 1 1 d . . .
H7A H 0.1953 -0.4990 0.8469 0.046 Uiso 1 1 calc R . .
H7D H 0.3347 -0.4200 0.8208 0.046 Uiso 1 1 calc R . .
H7B H 0.2178 -0.5988 0.7539 0.046 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
Cu C4 1.9522(19) . ?
Cu C5 1.9597(18) . ?
Cu O2 1.9866(13) . ?
Cu O1 1.9921(13) . ?
O1 C1 1.255(2) . ?
O2 C1 1.258(2) 3_566 ?
C1 O2 1.258(2) 3_566 ?
C1 C1 1.554(3) 3_566 ?
C2 C3 1.529(3) . ?
C3 C4 1.479(3) . ?
C4 C5 1.236(3) . ?
C5 C6 1.483(3) . ?
C6 C7 1.532(3) . ?
