#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2004853.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_2004853
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year       1996
_journal_page_first     1067
_journal_page_last     1070
_publ_section_title
;
Copper-Zinc Oxide Catalysts. Part III. Structure of
[Zn(NH~3~)~3~][Cu(CN)~2~]~2~
;
_chemical_formula_moiety     'n[N3 H9 Zn]^2+^,[C4 N4 Cu2]~n~^2n-^'
_chemical_formula_sum     'C4 H9 Cu2 N7 Zn'
_chemical_formula_structural     '[-Cu(CN)-AA-Cu{-CN-Zn(NH~3~)~3~}-AA-]'
_chemical_formula_weight     347.63
_symmetry_cell_setting    'monoclinic'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/c'
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'
_cell_length_a     7.512(2)
_cell_length_b     11.599(2)
_cell_length_c     12.928(3)
_cell_angle_alpha     90.00
_cell_angle_beta     102.14(3)
_cell_angle_gamma     90.00
_cell_volume     1101.3(5)
_cell_formula_units_Z     4
_exptl_crystal_density_diffrn     2.0967
_exptl_crystal_density_meas     2.12
_cell_measurement_temperature     293(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Zn 1 -0.14499(5) -0.22579(3) -0.28151(3)  .03770(10)
Cu1 1  .60806(7)  .33486(4)  .09198(4)  .05070(10)
Cu2 1  .26202(7)  -.03504(4)  .02857(4)  .0535(2)
N5 1  .7545(5)  .5045(3)  -.0500(3)  .0565(8)
C5 1  .7064(5)  .4391(3)  .0037(3)  .0403(7)
N6 1  .0133(4) -0.1472(3) -0.1603(2)  .0476(7)
C6 1  .1031(5) -0.1041(3)  -.0892(3)  .0418(7)
C1  .59(4)  .4562(5)  .2007(3)  .0488(2)  .0442(9)
N1  .41(4)  .4562(5)  .2007(3)  .0488(2)  .0442(9)
C2  .41(4)  .3787(5)  .1150(3)  .0319(2)  .0452(9)
N2  .59(4)  .3787(5)  .1150(3)  .0319(2)  .0452(9)
C4  .56(4)  .6893(5)  .3965(3)  .3308(3)  .0484(9)
N4  .44(4)  .6893(5)  .3965(3)  .3308(3)  .0484(9)
C3  .44(4)  .6601(5)  .3666(3)  .2442(3)  .0530(10)
N3  .56(4)  .6601(5)  .3666(3)  .2442(3)  .0530(10)
N7 1 -0.1550(7) -0.3935(3) -0.2480(3)  .0720(10)
H7A 1 -0.170(6)   -0.4020(3) -0.1820(11)  .108
H7B 1  -.052(2)   -0.4272(8) -0.255(3)    .108
H7C 1 -0.248(3)   -0.4261(8) -0.293(2)    .108
N8 1 -0.3941(4) -0.1550(3) -0.3013(2)  .0469(7)
H8A 1 -0.4732(9) -0.1974(15) -0.3466(18)  .070
H8B 1 -0.3915(10)  -.0839(10) -0.327(2)    .070
H8C 1 -0.4279(18) -0.153(2)   -0.2394(5)  .070
N9 1  -.0419(4) -0.2060(3) -0.4119(2)  .0472(7)
H9A 1  -.034(4)   -0.2745(4) -0.4415(12)  .071
H9B 1  .0683(16) -0.174(2)   -0.3942(4)  .071
H9C 1 -0.115(2)   -0.160(2)   -0.4576(9)  .071
_cod_database_code 2004853