data_2200860
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2002
_journal_volume  58
_journal_page_first  m99
_journal_page_last  m101
_publ_section_title
;
catena-Poly[[tetrakis(\m-acetato-\kO:\kO')dicopper(II)]-\m-2-aminopyrimidine-
\k^2^N:N'] at 150 K
;
loop_
_publ_author_name
  'Blake, Alexander J.'
  'Hubberstey, Peter'
  'Sampson, Claire L.'
_chemical_name_common
;
(2-aminopyrimidine)copper(II) acetate
;
_chemical_formula_moiety  'C12 H17 Cu2 N3 O8'
_chemical_formula_sum  'C12 H17 Cu2 N3 O8'
_chemical_formula_iupac  '[Cu2 (C2 H3 O2)4 (C4 H5 N3)]'
_chemical_formula_weight  458.36
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'C 2/c'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y, -z+1/2'
  'x+1/2, y+1/2, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y, z-1/2'
  '-x+1/2, -y+1/2, -z'
  'x+1/2, -y+1/2, z-1/2'
_cell_length_a  15.096(8)
_cell_length_b  13.585(8)
_cell_length_c  8.580(4)
_cell_angle_alpha  90.00
_cell_angle_beta  94.13(5)
_cell_angle_gamma  90.00
_cell_volume  1755.0(16)
_cell_formula_units_Z  4
_cell_measurement_temperature  150(2)
_exptl_crystal_density_diffrn  1.735
_diffrn_ambient_temperature  150(2)
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_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Cu1  .180242(17)  .28120(2)  .56882(3)  .01252(12) Uani d . 1 . . Cu
  C1  .16842(17)  .27617(17)  .2372(3)  .0177(5) Uani d . 1 . . C
  C11  .12003(19)  .2918(2)  .0805(3)  .0270(6) Uani d . 1 . . C
  H11A  .0587  .2743  .0856  .040 Uiso calc R 1 . . H
  H11B  .1461  .2514  .0042  .040 Uiso calc R 1 . . H
  H11C  .1243  .3598  .0513  .040 Uiso calc R 1 . . H
  O11  .12790(12)  .29606(15)  .3558(2)  .0269(4) Uani d . 1 . . O
  O12  .24662(13)  .24461(16)  .2392(2)  .0293(5) Uani d . 1 . . O
  C2  .18900(16)  .07504(18)  .5111(3)  .0177(5) Uani d . 1 . . C
  C21  .1577(2)  -.0303(2)  .5196(4)  .0326(7) Uani d . 1 . . C
  H21A  .1646  -.0623  .4215  .049 Uiso calc R 1 . . H
  H21B  .0963  -.0313  .5416  .049 Uiso calc R 1 . . H
  H21C  .1924  -.0641  .6011  .049 Uiso calc R 1 . . H
  O21  .14316(12)  .14108(13)  .5678(2)  .0280(4) Uani d . 1 . . O
  O22  .26016(12)  .08964(13)  .4490(2)  .0285(5) Uani d . 1 . . O
  N11  .06641(12)  .34547(14)  .6823(2)  .0149(4) Uani d . 1 . . N
  C12  .0000  .2989(2)  .7500  .0121(6) Uani d S 1 . . C
  N12  .0000  .2004(2)  .7500  .0177(6) Uani d SD 1 . . N
  H12  .0425(14)  .1701(19)  .708(3)  .027 Uiso d D 1 . . H
  C13  .06495(19)  .44346(19)  .6845(4)  .0324(7) Uani d . 1 . . C
  H13  .1101  .4775  .6394  .039 Uiso calc R 1 . . H
  C14  .0000  .4964(3)  .7500  .0501(15) Uani d S 1 . . C
  H14  .0000  .5649  .7500  .060 Uiso calc SR 1 . . H
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  .01110(17)  .01386(18)  .01312(17)  .00103(11)  .00451(11)  -.00030(10)
  C1  .0216(13)  .0138(12)  .0177(12)  .0012(9)  .0023(10)  -.0013(9)
  C11  .0311(15)  .0312(15)  .0179(13)  .0113(12)  -.0028(11)  -.0027(11)
  O11  .0194(9)  .0445(12)  .0170(9)  .0128(8)  .0022(7)  -.0011(8)
  O12  .0223(10)  .0511(12)  .0146(9)  .0145(9)  .0025(7)  -.0011(8)
  C2  .0199(13)  .0163(12)  .0174(11)  -.0013(10)  .0039(10)  -.0002(10)
  C21  .0331(16)  .0183(14)  .0483(18)  -.0051(12)  .0162(13)  -.0023(13)
  O21  .0251(10)  .0168(9)  .0449(11)  -.0024(8)  .0220(8)  -.0028(8)
  O22  .0229(10)  .0168(9)  .0485(12)  -.0036(8)  .0214(9)  -.0070(8)
  N11  .0137(10)  .0141(10)  .0178(10)  .0008(8)  .0066(8)  .0006(8)
  C12  .0116(15)  .0170(17)  .0075(14)  .000  -.0011(12)  .000
  N12  .0162(15)  .0131(15)  .0254(16)  .000  .0129(12)  .000
  C13  .0278(15)  .0149(13)  .0580(19)  -.0016(11)  .0287(14)  .0037(13)
  C14  .045(3)  .0120(19)  .100(4)  .000  .053(3)  .000
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Cu1 Cu1 7_556 2.6281(14) y
  Cu1 N11 . 2.214(2) y
  Cu1 O11 . 1.949(2) y
  Cu1 O12 7_556 1.947(2) y
  Cu1 O21 . 1.984(2) y
  Cu1 O22 7_556 1.983(2) y
  C1 O11 . 1.254(3) ?
  C1 O12 . 1.255(3) ?
  C1 C11 . 1.499(4) ?
  C2 O22 . 1.249(3) ?
  C2 O21 . 1.252(3) ?
  C2 C21 . 1.510(4) ?
  N11 C13 . 1.331(3) ?
  N11 C12 . 1.352(2) ?
  C12 N12 . 1.339(4) ?
  C13 C14 . 1.369(3) ?
  C11 H11A .  .960 ?
  C11 H11B .  .960 ?
  C11 H11C .  .960 ?
  C21 H21A .  .960 ?
  C21 H21B .  .960 ?
  C21 H21C .  .960 ?
  N12 H12 .  .863(10) ?
  C13 H13 .  .930 ?
  C14 H14 .  .930 ?