data_2013275
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2003
_journal_volume  59
_journal_page_first  m204
_journal_page_last  m206
_publ_section_title
;
The layered structure of
poly[[[di-\m-chloro-bis[chloro(2-ethyltetrazole-kN^4^)copper(II)]]-
di-\m-ethyltetrazole-k^2^N^1^:N^4^]
;
loop_
_publ_author_name
  'Lyakhov, Alexander S.'
  'Gaponik, Pavel N.'
  'Degtyarik, Michail M.'
  'Ivashkevich, Ludmila S.'
_chemical_formula_moiety  'C6 H12 Cl2 Cu N8'
_chemical_formula_sum  'C6 H12 Cl2 Cu N8'
_chemical_formula_iupac  '[Cu Cl2 (C6 H12 N8)]'
_chemical_formula_weight  330.68
_symmetry_cell_setting  'monoclinic'
_symmetry_space_group_name_H-M  'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x-1/2, -y-1/2, z-1/2'
_cell_length_a  10.234(2)
_cell_length_b  13.690(4)
_cell_length_c  10.478(2)
_cell_angle_alpha  90.00
_cell_angle_beta  119.174(15)
_cell_angle_gamma  90.00
_cell_volume  1281.9(5)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.713
_diffrn_ambient_temperature  293(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 0.57901(2) 0.123100(17) 0.04226(2) 0.03685(9) Uani d . 1 . . Cu
  Cl1 0.52049(5) 0.02443(3) 0.18239(5) 0.03839(11) Uani d . 1 . . Cl
  Cl2 0.64953(6) 0.23024(4) -0.07677(6) 0.05315(14) Uani d . 1 . . Cl
  N1A 0.1548(2) 0.22734(17) -0.24365(19) 0.0545(5) Uani d . 1 . . N
  N2A 0.15985(18) 0.23031(13) -0.11470(18) 0.0413(3) Uani d . 1 . . N
  N3A 0.28670(18) 0.20117(14) -0.00508(18) 0.0431(4) Uani d . 1 . . N
  N4A 0.37140(17) 0.17808(12) -0.06414(17) 0.0382(3) Uani d . 1 . . N
  C5A 0.2906(2) 0.19436(17) -0.2072(2) 0.0473(5) Uani d . 1 . . C
  H5A 0.3251 0.1839 -0.2735 0.057 Uiso calc R 1 . . H
  C6A 0.0295(3) 0.2595(2) -0.0991(3) 0.0581(6) Uani d . 1 . . C
  H61A -0.0540 0.2167 -0.1581 0.070 Uiso calc R 1 . . H
  H62A 0.0005 0.3255 -0.1355 0.070 Uiso calc R 1 . . H
  C7A 0.0612(3) 0.2552(3) 0.0542(3) 0.0686(7) Uani d . 1 . . C
  H71A 0.0992 0.1917 0.0938 0.103 Uiso calc R 1 . . H
  H72A -0.0293 0.2671 0.0580 0.103 Uiso calc R 1 . . H
  H73A 0.1341 0.3039 0.1106 0.103 Uiso calc R 1 . . H
  N1B 0.9880(2) -0.00382(16) 0.1502(2) 0.0513(4) Uani d . 1 . . N
  N2B 1.00320(17) 0.02045(13) 0.27913(18) 0.0412(3) Uani d . 1 . . N
  N3B 0.88395(18) 0.06117(15) 0.27274(18) 0.0448(4) Uani d . 1 . . N
  N4B 0.78574(16) 0.06495(13) 0.13237(17) 0.0391(3) Uani d . 1 . . N
  C5B 0.8505(2) 0.02601(19) 0.0605(2) 0.0502(5) Uani d . 1 . . C
  H5B 0.8044 0.0205 -0.0407 0.060 Uiso calc R 1 . . H
  C6B 1.1409(2) 0.0025(2) 0.4187(3) 0.0603(6) Uani d . 1 . . C
  H61B 1.1429 -0.0651 0.4474 0.072 Uiso calc R 1 . . H
  H62B 1.1409 0.0436 0.4941 0.072 Uiso calc R 1 . . H
  C7B 1.2771(3) 0.0234(2) 0.4061(3) 0.0664(7) Uani d . 1 . . C
  H71B 1.2830 -0.0221 0.3394 0.100 Uiso calc R 1 . . H
  H72B 1.3644 0.0171 0.5005 0.100 Uiso calc R 1 . . H
  H73B 1.2716 0.0887 0.3705 0.100 Uiso calc R 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 0.02610(12) 0.04774(15) 0.03535(13) 0.00211(8) 0.01393(9) 0.00712(8)
  Cl1 0.0366(2) 0.0452(2) 0.0351(2) 0.00032(16) 0.01886(16) 0.00204(16)
  Cl2 0.0471(3) 0.0618(3) 0.0529(3) -0.0049(2) 0.0263(2) 0.0136(2)
  N1A 0.0445(9) 0.0771(13) 0.0356(8) 0.0232(9) 0.0147(7) 0.0080(8)
  N2A 0.0330(7) 0.0501(9) 0.0381(7) 0.0098(6) 0.0152(6) 0.0066(7)
  N3A 0.0326(7) 0.0573(10) 0.0378(8) 0.0089(7) 0.0160(6) 0.0074(7)
  N4A 0.0324(7) 0.0448(8) 0.0362(7) 0.0054(6) 0.0157(6) 0.0044(6)
  C5A 0.0422(10) 0.0610(12) 0.0367(9) 0.0151(9) 0.0176(8) 0.0049(8)
  C6A 0.0410(11) 0.0791(16) 0.0586(13) 0.0209(11) 0.0276(10) 0.0155(12)
  C7A 0.0551(13) 0.097(2) 0.0678(16) 0.0141(14) 0.0412(13) 0.0123(14)
  N1B 0.0370(8) 0.0712(12) 0.0446(9) 0.0085(8) 0.0190(7) -0.0025(8)
  N2B 0.0296(7) 0.0550(9) 0.0378(8) 0.0024(6) 0.0156(6) 0.0071(7)
  N3B 0.0315(7) 0.0656(11) 0.0364(8) 0.0039(7) 0.0159(6) 0.0030(7)
  N4B 0.0289(7) 0.0524(9) 0.0351(7) 0.0009(6) 0.0149(6) 0.0032(6)
  C5B 0.0342(9) 0.0763(15) 0.0376(9) 0.0048(9) 0.0155(8) -0.0043(9)
  C6B 0.0377(10) 0.0933(18) 0.0407(10) 0.0118(11) 0.0120(8) 0.0189(11)
  C7B 0.0340(10) 0.094(2) 0.0599(14) 0.0102(11) 0.0141(10) 0.0063(13)
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 N4A . 2.0037(16) Y
  Cu1 N4B . 2.0136(16) Y
  Cu1 Cl2 . 2.2595(6) Y
  Cu1 Cl1 . 2.2796(6) Y
  Cu1 N1A 4_666 2.851(2) Y
  Cu1 Cl1 3_655 2.8845(8) Y
  N1A N2A . 1.328(2) Y
  N1A C5A . 1.328(3) Y
  N2A N3A . 1.308(2) Y
  N2A C6A . 1.476(3) ?
  N3A N4A . 1.326(2) Y
  N4A C5A . 1.331(2) Y
  C5A H5A . 0.9300 ?
  C6A C7A . 1.477(4) ?
  C6A H61A . 0.9700 ?
  C6A H62A . 0.9700 ?
  C7A H71A . 0.9600 ?
  C7A H72A . 0.9600 ?
  C7A H73A . 0.9600 ?
  N1B C5B . 1.319(3) Y
  N1B N2B . 1.325(3) Y
  N2B N3B . 1.313(2) Y
  N2B C6B . 1.475(3) ?
  N3B N4B . 1.317(2) Y
  N4B C5B . 1.333(3) Y
  C5B H5B . 0.9300 ?
  C6B C7B . 1.490(4) ?
  C6B H61B . 0.9700 ?
  C6B H62B . 0.9700 ?
  C7B H71B . 0.9600 ?
  C7B H72B . 0.9600 ?
  C7B H73B . 0.9600 ?