#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/05/4300546.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_4300546
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/ic0515094
_journal_year                    2006
_chemical_formula_moiety         'C20 H34 Au2 Cu2 N12 O2'
_chemical_formula_sum            'C20 H34 Au2 Cu2 N12 O2'
_chemical_formula_weight         995.60
_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                64.35(2)
_cell_angle_beta                 76.27(2)
_cell_angle_gamma                79.26(2)
_cell_formula_units_Z            1
_cell_length_a                   8.465(2)
_cell_length_b                   10.274(2)
_cell_length_c                   10.468(2)
_cell_measurement_temperature    293
_cell_volume                     793.6(3)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    2.083
_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               4300546
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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_attached_hydrogens
Au1 Au 0.27904(3) 0.42342(2) 0.03364(2) 0.0417 1.0000 Uani . . . . . .
Cu1 Cu 0.01674(7) 0.34083(6) 0.56980(7) 0.0390 1.0000 Uani . . . . . .
O1 O 0.1513(5) 0.4999(4) 0.4873(5) 0.0526 1.0000 Uani . . . . . .
N11 N 0.0800(8) 0.3077(7) 0.3457(6) 0.0740 1.0000 Uani . . . . . .
N12 N 0.0515(9) 0.7133(6) -0.0270(8) 0.0759 1.0000 Uani . . . . . .
N13 N 0.4972(9) 0.5365(7) -0.2713(7) 0.0808 1.0000 Uani . . . . . .
N14 N 0.4910(9) 0.1251(7) 0.1150(8) 0.0868 1.0000 Uani . . . . . .
C11 C 0.1491(8) 0.3487(7) 0.2315(7) 0.0559 1.0000 Uani . . . . . .
C12 C 0.1390(8) 0.6101(6) -0.0088(7) 0.0544 1.0000 Uani . . . . . .
C13 C 0.4146(8) 0.4978(6) -0.1625(7) 0.0571 1.0000 Uani . . . . . .
C14 C 0.4145(8) 0.2329(6) 0.0835(7) 0.0570 1.0000 Uani . . . . . .
N1 N -0.1374(5) 0.1816(4) 0.6691(5) 0.0417 1.0000 Uani . . . . . .
N2 N 0.1939(5) 0.1868(4) 0.6672(5) 0.0456 1.0000 Uani . . . . . .
C3 C -0.0284(8) 0.0449(6) 0.7120(8) 0.0607 1.0000 Uani . . . . . .
C4 C 0.1057(8) 0.0596(6) 0.7722(8) 0.0675 1.0000 Uani . . . . . .
C5 C -0.2453(9) 0.1954(8) 0.7962(8) 0.0705 1.0000 Uani . . . . . .
C6 C -0.2414(8) 0.1820(7) 0.5738(8) 0.0656 1.0000 Uani . . . . . .
C7 C 0.3197(8) 0.1455(7) 0.5658(8) 0.0629 1.0000 Uani . . . . . .
C8 C 0.2733(9) 0.2399(8) 0.7444(9) 0.0699 1.0000 Uani . . . . . .
H31 H -0.0895(8) -0.0328(6) 0.7808(8) 0.10(2) 1.0000 Uiso . . . . . .
H32 H 0.0185(8) 0.0257(6) 0.6292(8) 0.10(2) 1.0000 Uiso . . . . . .
H41 H 0.0591(8) 0.0750(6) 0.8570(8) 0.080(17) 1.0000 Uiso . . . . . .
H42 H 0.1797(8) -0.0258(6) 0.7951(8) 0.080(17) 1.0000 Uiso . . . . . .
H51 H -0.3133(9) 0.2841(8) 0.7668(8) 0.095(16) 1.0000 Uiso . . . . . .
H52 H -0.1799(9) 0.1949(8) 0.8587(8) 0.095(16) 1.0000 Uiso . . . . . .
H53 H -0.3112(9) 0.1167(8) 0.8453(8) 0.095(16) 1.0000 Uiso . . . . . .
H61 H -0.3114(8) 0.2696(7) 0.5469(8) 0.078(14) 1.0000 Uiso . . . . . .
H62 H -0.3053(8) 0.1018(7) 0.6226(8) 0.078(14) 1.0000 Uiso . . . . . .
H63 H -0.1736(8) 0.1750(7) 0.4901(8) 0.078(14) 1.0000 Uiso . . . . . .
H71 H 0.3744(8) 0.2278(7) 0.4981(8) 0.090(15) 1.0000 Uiso . . . . . .
H72 H 0.3964(8) 0.0717(7) 0.6154(8) 0.090(15) 1.0000 Uiso . . . . . .
H73 H 0.2688(8) 0.1104(7) 0.5168(8) 0.090(15) 1.0000 Uiso . . . . . .
H81 H 0.3302(9) 0.3210(8) 0.6773(9) 0.085(15) 1.0000 Uiso . . . . . .
H82 H 0.1915(9) 0.2683(8) 0.8096(9) 0.085(15) 1.0000 Uiso . . . . . .
H83 H 0.3478(9) 0.1653(8) 0.7964(9) 0.085(15) 1.0000 Uiso . . . . . .
H1 H 0.2486 0.4850 0.4128 0.11(3) 1.0000 Uiso . . . . . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Au1 . C11 . 1.986(7) yes
Au1 . C12 . 1.986(6) yes
Au1 . C13 . 1.992(6) yes
Au1 . C14 . 1.995(6) yes
Cu1 . Cu1 2_566 2.9371(13) yes
Cu1 . O1 2_566 1.936(4) yes
Cu1 . O1 . 1.929(4) yes
Cu1 . N11 . 2.435(6) yes
Cu1 . N1 . 2.035(4) yes
Cu1 . N2 . 2.059(4) yes
Cu1 . C3 . 2.802(5) yes
Cu1 . C4 . 2.838(5) yes
O1 . H1 . 1.030 no
N11 . C11 . 1.129(8) yes
N12 . C12 . 1.144(8) yes
N13 . C13 . 1.130(9) yes
N14 . C14 . 1.129(8) yes
N1 . C3 . 1.481(7) yes
N1 . C5 . 1.471(8) yes
N1 . C6 . 1.477(8) yes
N2 . C4 . 1.484(7) yes
N2 . C7 . 1.458(8) yes
N2 . C8 . 1.476(8) yes
C3 . C4 . 1.482(9) yes
C3 . H32 . 0.9500(2) no
C3 . C4 . 1.482(9) yes
C3 . H31 . 0.9500(3) no
C4 . H42 . 0.9500(3) no
C4 . H41 . 0.9500(2) no
C5 . H52 . 0.95001(19) no
C5 . H53 . 0.9500(3) no
C5 . H51 . 0.9500(3) no
C6 . H62 . 0.9500(3) no
C6 . H63 . 0.9500(2) no
C6 . H61 . 0.9500(3) no
C7 . H72 . 0.9500(3) no
C7 . H73 . 0.95001(16) no
C7 . H71 . 0.9500(3) no
C8 . H82 . 0.9500(2) no
C8 . H83 . 0.9500(3) no
C8 . H81 . 0.9500(3) no
