<i>catena</i>-Poly[[bis[1-(2-hydroxyethyl)-1<i>H</i>-tetrazole-κ<i>N</i>^4^]copper(II)]-di-μ-chlorido]: a powder study
Ivashkevich, Ludmila S.; Lyakhov, Alexander S.; Serebryanskaya, Tatiyana V.; Gaponik, Pavel N.; Acta Crystallographica Section E 64 (2008) m1044–m1045; doi:10.1107/S1600536808022137

data_2219088
_publ_section_title
;<i>catena</i>-Poly[[bis[1-(2-hydroxyethyl)-1<i>H</i>-tetrazole-\k<i>N</i>^4^]copper(II)]-di-\m-chlorido]:
 a powder study
;
_journal_coeditor_code           LH2648
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1044
_journal_page_last               m1045
_journal_paper_doi               10.1107/S1600536808022137
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Cu Cl2 (C3 H6 N4 O)2]'
_chemical_formula_moiety         'C6 H12 Cl2 Cu N8 O2'
_chemical_formula_sum            'C6 H12 Cl2 Cu N8 O2'
_chemical_formula_weight         362.69
_chemical_name_systematic
;
catena-Poly[[bis[1-(2-hydroxyethyl)-1H-tetrazole-\kN^4^]copper(II)]-
di-\m-chlorido]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 105.450(8)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            2
_cell_length_a                   13.3349(11)
_cell_length_b                   6.7406(6)
_cell_length_c                   7.3419(5)
_cell_measurement_temperature    295(2)
_cell_volume                     636.08(9)
_computing_cell_refinement       'FULLPROF (Rodr\'iguez-Carvajal, 2001)'
_computing_data_collection       'local program'
_computing_data_reduction        'local program'
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 1997) and PLATON (Spek, 2003)
;
_computing_publication_material
;
FULLPROF (Rodr\'iguez-Carvajal, 2001) and PLATON (Spek, 2003)
;
_computing_structure_refinement
'FULLPROF (Rodr\'iguez-Carvajal, 2001) and SHELXL97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      295
_diffrn_measurement_device_type  'HZG-4A (Carl Zeiss, Jena)'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_monochromator  'Ni filtered'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    6.443
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.894
_exptl_crystal_F_000             366.0
_refine_ls_goodness_of_fit_all   0.78
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_constraints    0
_refine_ls_number_parameters     48
_refine_ls_number_reflns         785
_refine_ls_number_restraints     21
_refine_ls_shift/su_max          0.02
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            lh2648.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

'_geom_angle_publ_flag'
value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_geom_bond_publ_flag' value 'Y' changed to 'y'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_geom_angle_publ_flag' value 'Y' changed to 'y'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2219088