An X-ray powder diffraction study of <i>catena</i>-poly[[bis(1-methyl-1<i>H</i>-tetrazole-κ<i>N</i>^4^)copper(II)]-di-μ-bromo]
Ivashkevich, Ludmila S.; Lyakhov, Alexander S.; Gaponik, Pavel N.; Degtyarik, Michail M.; Acta Crystallographica Section E 61 (2005) m394–m396; doi:10.1107/S1600536805002205

data_2205053
_publ_section_title
;An X-ray powder diffraction study of
 <i>catena</i>-poly[[bis(1-methyl-1<i>H</i>-tetrazole-\k<i>N</i>^4^)copper(II)]-di-\m-bromo]
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m394
_journal_page_last               m396
_journal_paper_doi               10.1107/S1600536805002205
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Cu Br2 (C4 H8 N8)2]'
_chemical_formula_moiety         'C4 H8 Br2 Cu N8'
_chemical_formula_structural     'C4 H8 Br2 Cu N8'
_chemical_formula_sum            'C4 H8 Br2 Cu N8'
_chemical_formula_weight         391.53
_chemical_name_systematic
;
catena-poly[[bis(1-methyl-1H-tetrazole-\kN^4^)copper(II)]-di-\m-bromo]
;
_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
_cell_angle_beta                 105.444(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.0319(5)
_cell_length_b                   6.8524(4)
_cell_length_c                   7.7018(4)
_cell_measurement_temperature    293
_cell_volume                     561.19(5)
_computing_cell_refinement       'FULLPROF (Rodrigues-Carvajal, 2001)'
_computing_data_collection       'local program'
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_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 1999) and PLATON (Spek, 2003)
;
_computing_publication_material  FULLPROF
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_diffrn_ambient_temperature      293
_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    10.983
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    2.317
_refine_ls_goodness_of_fit_all   1.23
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_constraints    0
_refine_ls_number_parameters     44
_refine_ls_number_restraints     17
_refine_ls_shift/su_max          0.016
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            dn6190.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_angle_publ_flag' value 'No' changed to 'no' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (2
times).

'_geom_angle_publ_flag' value 'Yes' changed to 'yes' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (3 times).

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

The following automatic conversions were performed:

'_geom_angle_publ_flag' value 'No' changed to 'no' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (2
times).

'_geom_angle_publ_flag' value 'Yes' changed to 'yes'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (3
times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        561.20(5)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2205053