#------------------------------------------------------------------------------
#$Date: 2011-09-17 23:27:16 +0300 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2014321.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_2014321
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2006
_journal_volume  62
_journal_page_first  m102
_journal_page_last  m104
_publ_section_title
;
<i>catena</i>-Poly[disodium
[[diformatotricopper(II)]-di-\m~3~-formato-tetra-\m~2~-formato]]: a new mode
of bridging between binuclear and mononuclear formato--copper(II) units
;
loop_
_publ_author_name
  'Amalija Golobi\<c'
  'Martina Malekovi\<c'
  'Primo\<z \<Segedin'
_chemical_formula_moiety  '2Na +, C8 H8 Cu3 O16 2-'
_chemical_formula_sum  'C8 H8 Cu3 Na2 O16'
_chemical_formula_iupac  'Na2 [Cu3 (C H O2)8]'
_chemical_formula_weight  596.76
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  -p_1
loop_
_symmetry_equiv_pos_as_xyz
  +x,+y,+z
  -x,-y,-z
_cell_length_a  7.6594(2)
_cell_length_b  7.77170(10)
_cell_length_c  8.7972(2)
_cell_angle_alpha  113.2480(10)
_cell_angle_beta  108.6530(10)
_cell_angle_gamma  97.4950(10)
_cell_volume  435.61(2)
_cell_formula_units_Z  1
_cell_measurement_temperature  293
_exptl_crystal_density_diffrn  2.275
_diffrn_ambient_temperature  293
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
  Cu1 .88612(9) .03853(11) .08489(9) .0203(3) Uani ? ? 1.00000 ? ?
  Cu2 1.00000 .50000 .50000 .0212(3) Uani ? ? 1.00000 ? ?
  O11 1.0913(7) .2859(7) .2594(6) .0285(14) Uani ? ? 1.00000 ? ?
  O12 1.2858(7) .2225(8) .1151(7) .0343(16) Uani ? ? 1.00000 ? ?
  O21 .7873(7) .1621(8) -.0680(7) .0302(16) Uani ? ? 1.00000 ? ?
  O22 .9812(9) .0929(9) -.2146(8) .0350(18) Uani ? ? 1.00000 ? ?
  O31 .7852(8) .5103(8) .3168(7) .0329(16) Uani ? ? 1.00000 ? ?
  O32 .5832(9) .6577(11) .2167(10) .047(2) Uani ? ? 1.00000 ? ?
  O41 .8186(7) .2809(7) .4857(6) .0280(14) Uani ? ? 1.00000 ? ?
  O42 .6732(6) .0676(7) .1886(6) .0249(13) Uani ? ? 1.00000 ? ?
  C1 1.2433(9) .3288(10) .2389(9) .0285(18) Uani ? ? 1.00000 ? ?
  C2 .8550(11) .1669(12) -.1828(9) .031(2) Uani ? ? 1.00000 ? ?
  C3 .7373(10) .6629(11) .3241(10) .030(2) Uani ? ? 1.00000 ? ?
  C4 .6906(9) .1344(10) .3499(9) .0269(18) Uani ? ? 1.00000 ? ?
  Na .5425(4) .2744(4) .0234(4) .0259(8) Uani ? ? 1.00000 ? ?
  H1 1.346(12) .453(10) .323(13) .03400 Uiso ? ? 1.00000 ? ?
  H2 .807(15) .248(16) -.237(14) .03(2) Uiso ? ? 1.00000 ? ?
  H3 .876(11) .774(12) .410(11) .011(16) Uiso ? ? 1.00000 ? ?
  H4 .571(14) .089(15) .378(13) .02(2) Uiso ? ? 1.00000 ? ?
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Cu1 .0195(3) .0216(4) .0193(3) .0066(3) .0094(3) .0076(3)
  Cu2 .0219(4) .0182(5) .0177(4) .0041(3) .0032(3) .0073(4)
  O11 .027(2) .023(2) .024(2) .0014(17) .0109(17) .0014(19)
  O12 .030(2) .028(2) .032(2) .0003(19) .017(2) .001(2)
  O21 .033(2) .038(3) .033(2) .020(2) .017(2) .023(2)
  O22 .044(3) .042(3) .037(3) .022(2) .024(2) .027(2)
  O31 .032(2) .025(2) .026(2) .0064(18) -.0001(18) .0085(18)
  O32 .039(3) .051(4) .055(4) .014(3) .007(3) .039(3)
  O41 .031(2) .024(2) .021(2) .0011(17) .0063(17) .0088(18)
  O42 .0238(18) .027(2) .0222(19) .0087(16) .0119(16) .0081(18)
  C1 .021(2) .026(3) .026(3) .002(2) .009(2) .002(2)
  C2 .041(3) .038(4) .028(3) .020(3) .015(3) .024(3)
  C3 .032(3) .028(3) .032(3) .011(2) .009(3) .018(3)
  C4 .024(2) .024(3) .024(3) .001(2) .009(2) .006(2)
  Na .0239(10) .0267(12) .0249(11) .0076(9) .0094(10) .0103(10)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Cu1 O11 . . 1.965(5) yes
  Cu1 O21 . . 1.965(6) yes
  Cu1 O42 . . 2.104(5) yes
  Cu1 O12 . 2_755 1.987(6) yes
  Cu1 O22 . 2_755 1.956(7) yes
  Cu2 O11 . . 2.492(5) yes
  Cu2 O31 . . 1.937(6) yes
  Cu2 O41 . . 1.987(6) yes
  Na O21 . . 2.400(7) no
  Na O31 . . 2.405(6) no
  Na O32 . . 2.699(9) no
  Na O42 . . 2.652(6) no
  Na O12 . 1_455 2.397(7) no
  Na O42 . 2_655 2.499(6) no
  Na O32 . 2_665 2.319(9) no
  O11 C1 . . 1.257(9) no
  O12 C1 . . 1.250(9) no
  O21 C2 . . 1.285(10) no
  O22 C2 . . 1.239(12) no
  O31 C3 . . 1.270(11) no
  O32 C3 . . 1.238(11) no
  O41 C4 . . 1.253(9) no
  O42 C4 . . 1.257(8) no
  C1 H1 . . 0.98(10) no
  C2 H2 . . 0.97(13) no
  C3 H3 . . 1.09(9) no
  C4 H4 . . 1.07(11) no
_cod_database_code 2014321