data_2202255
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2003
_journal_volume  59
_journal_page_first  m165
_journal_page_last  m167
_publ_section_title
;
catena-Poly[disodium [[tris(formato-\kO)copper(II)]-\m~2~-formato-\k^2^O:O']],
Na~2n~[Cu(O~2~CH)~4-x~(O~2~CCH~3~)~x~]~n~ (x = 0.28)
;
loop_
_publ_author_name
  'Amalija Golobi\<c'
  'Karmen Klan\<car'
  'Primo\<z \<Segedin'
_chemical_formula_moiety  '2(Na 1+), C4.28 H4.56 Cu1 O8 2-'
_chemical_formula_sum  'C4.28 H4.56 Cu1 Na2 O8'
_chemical_formula_iupac  'Na2 [Cu (C H O2)3.72 (C2 H3 O2)0.28]'
_chemical_formula_weight  293.58
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
_symmetry_space_group_name_Hall  -p_2ybc
loop_
_symmetry_equiv_pos_as_xyz
  +x,+y,+z
  -x,1/2+y,1/2-z
  -x,-y,-z
  +x,1/2-y,1/2+z
_cell_length_a  7.0867(4)
_cell_length_b  9.4514(4)
_cell_length_c  13.8277(8)
_cell_angle_alpha  90.00
_cell_angle_beta  96.993(2)
_cell_angle_gamma  90.00
_cell_volume  919.28(8)
_cell_formula_units_Z  4
_cell_measurement_temperature  293
_exptl_crystal_density_diffrn  2.121
_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
  Cu .45912(2) .271510(10) .815910(10) .01988(11) Uani ? ? 1.00000 ? ?
  Na1 .86246(6) .53549(5) .38067(4) .0287(2) Uani ? ? 1.00000 ? ?
  Na2 .36454(6) -.04844(5) .88281(4) .0292(2) Uani ? ? 1.00000 ? ?
  O11 .57597(12) .22579(8) .69824(6) .0239(4) Uani ? ? 1.00000 ? ?
  O12 .51143(13) .00187(9) .73108(7) .0309(4) Uani ? ? 1.00000 ? ?
  O21 .35036(12) .33218(9) .93095(7) .0297(4) Uani ? ? 1.00000 ? ?
  O22 .35322(12) .12659(9) 1.01174(6) .0276(4) Uani ? ? 1.00000 ? ?
  O31 .20493(12) .27526(9) .73715(7) .0301(4) Uani ? ? 1.00000 ? ?
  O32 .10223(12) .08245(10) .80815(7) .0344(4) Uani ? ? 1.00000 ? ?
  O41 .69090(13) .19371(11) .89177(7) .0347(4) Uani ? ? 1.00000 ? ?
  O42 .88384(13) .16723(12) 1.02695(8) .0399(5) Uani ? ? 1.00000 ? ?
  C1 .57681(18) .09481(13) .68162(9) .0260(5) Uani ? ? 1.00000 ? ?
  C2 .31543(16) .25354(13) 1.00014(9) .0239(5) Uani ? ? 1.00000 ? ?
  C3 .08125(17) .18544(16) .75337(10) .0342(6) Uani ? ? 1.00000 ? ?
  C4 .78898(19) .24076(16) .96580(10) .0331(7) Uani ? ? 1.00000 ? ?
  H1 .631(3) .070(2) .6313(19) .042(5) Uiso ? ? 1.00000 ? ?
  H2 .255(2) .303(2) 1.0497(14) .032(4) Uiso ? ? 1.00000 ? ?
  H3 -.035(4) .201(2) .7202(18) .046(5) Uiso ? ? 1.00000 ? ?
  C41 .8518(8) .3942(6) .9528(4) .043(3) Uiso ? ? .284(13) ? ?
  H4 .767(4) .330(4) .979(2) .043(3) Uiso ? ? .716(13) ? ?
  H41 .93368 .39690 .89758 .043(3) Uiso ? ? .284(13) ? ?
  H42 .74138 .45572 .93813 .043(3) Uiso ? ? .284(13) ? ?
  H43 .93446 .43249 1.01245 .043(3) Uiso ? ? .284(13) ? ?
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
  Cu .02128(11) .01892(11) .01975(11) .00162(4) .00371(6) .00246(4)
  Na1 .0288(2) .0280(2) .0308(3) .00217(17) .00996(18) -.00075(18)
  Na2 .0306(2) .0261(2) .0311(3) -.00397(17) .00460(18) .00033(18)
  O11 .0294(4) .0184(4) .0247(4) .0006(3) .0067(3) .0019(3)
  O12 .0419(4) .0186(4) .0351(5) .0003(3) .0166(4) -.0003(4)
  O21 .0383(4) .0257(4) .0268(4) .0026(3) .0107(3) .0033(4)
  O22 .0326(4) .0256(5) .0249(4) .0009(3) .0038(3) -.0030(3)
  O31 .0231(4) .0361(5) .0307(5) -.0018(3) .0019(3) .0111(4)
  O32 .0295(4) .0365(5) .0376(5) .0027(3) .0056(4) -.0107(4)
  O41 .0338(5) .0378(5) .0306(5) .0108(4) -.0035(4) -.0024(4)
  O42 .0329(4) .0509(6) .0342(5) -.0011(4) -.0034(4) -.0117(4)
  C1 .0346(5) .0204(6) .0246(6) .0033(5) .0105(5) -.0007(5)
  C2 .0248(5) .0279(6) .0197(6) .0002(4) .0048(4) -.0008(5)
  C3 .0200(6) .0460(7) .0357(7) -.0045(5) -.0012(5) .0142(6)
  C4 .0367(7) .0307(8) .0305(7) .0053(5) -.0017(6) .0021(6)
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
  Cu O11 . . 1.9616(9) yes
  Cu O21 . . 1.9370(10) yes
  Cu O31 . . 1.9886(8) yes
  Cu O41 . . 1.9798(9) yes
  Cu O12 . '2 656' 2.2889(9) yes
  Na1 O22 . '2 656' 2.4176(10) yes
  Na1 O42 . '2 756' 2.4198(11) yes
  Na1 O31 . '3 666' 2.4274(10) yes
  Na1 Na2 . '4 554' 3.5345(6) ?
  Na1 O41 . '4 554' 2.4980(11) yes
  Na1 O32 . '4 654' 2.3559(11) yes
  Na2 O12 . . 2.4987(11) yes
  Na2 O22 . . 2.4406(10) yes
  Na2 O32 . . 2.3631(10) yes
  Na2 O11 . '2 646' 2.4702(9) yes
  Na2 O22 . '3 657' 2.4417(9) yes
  Na2 O42 . '3 657' 2.5398(12) yes
  O11 C1 . . 1.2592(14) yes
  O12 C1 . . 1.2374(16) yes
  O21 C2 . . 1.2597(16) yes
  O22 C2 . . 1.2356(15) yes
  O31 C3 . . 1.2598(16) yes
  O32 C3 . . 1.2312(17) yes
  O41 C4 . . 1.2472(16) yes
  O42 C4 . . 1.2294(17) yes
  C1 H1 . . .87(3) ?
  C2 H2 . . .97(2) ?
  C3 H3 . . .91(2) ?
  C4 C41 . . 1.534(6) yes
  C4 H4 . . .88(4) ?
  C41 H4 . . .95(3) ?
  C41 H41 . . 1.014 ?
  C41 H42 . . .976 ?
  C41 H43 . . 1.019 ?