An X-ray powder investigation of <i>catena</i>-poly[copper(II)-di-μ-chloro-κ^4^1:2<i>Cl</i>-μ-1,5-dimethyl-1<i>H</i>-tetrazole-κ^2^<i>N</i>^3^:<i>N</i>^4^]
Ivashkevich, Ludmila S.; Lyakhov, Alexander S.; Gaponik, Pavel N.; Degtyarik, Michail M.; Ivashkevich, Oleg A.; Tiutiunnikov, Sergey I.; Efimov, Vadim V.; Acta Crystallographica Section C 62 (2006) m607–m609; doi:10.1107/S0108270106043125

data_2015699
_publ_section_title
;An X-ray powder investigation of
 <i>catena</i>-poly[copper(II)-di-\m-chloro-\k^4^1:2<i>Cl</i>-\m-1,5-dimethyl-1<i>H</i>-tetrazole-\k^2^<i>N</i>^3^:<i>N</i>^4^]
;
_journal_coeditor_code           LN3024
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m607
_journal_page_last               m609
_journal_paper_doi               10.1107/S0108270106043125
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Cu Cl2 (C3 H6 N4)]'
_chemical_formula_moiety         'C3 H6 Cl2 Cu N4'
_chemical_formula_structural     '[Cu Cl2 (C3 H6 N4)]'
_chemical_formula_sum            'C3 H6 Cl2 Cu N4'
_chemical_formula_weight         232.57
_chemical_name_systematic
;
catena-poly[[di-\m-chloro-\k^2^1:2-\m-1,5-dimethyl-1H-tetrazole-
\k^2^N^3^:N^4^]copper(II)]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                109.167(2)
_cell_angle_beta                 105.528(3)
_cell_angle_gamma                103.121(3)
_cell_formula_units_Z            2
_cell_length_a                   6.8117(4)
_cell_length_b                   7.4177(4)
_cell_length_c                   8.6722(4)
_cell_measurement_temperature    295
_cell_volume                     374.15(4)
_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 and PLATON'
_computing_structure_refinement  FULLPROF
_computing_structure_solution    'EXPO (Altomare <i>et al.</i>,  1999)'
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  'Carl Zeiss HZG-4A'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_monochromator  'Fe filtered'
_diffrn_radiation_type           'Co K\a'
_diffrn_radiation_wavelength     1.79021
_exptl_absorpt_coefficient_mu    60.230
_exptl_crystal_density_diffrn    2.064
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             230
_refine_ls_goodness_of_fit_all   0.76
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_constraints    0
_refine_ls_number_parameters     52
_refine_ls_number_restraints     16
_refine_ls_shift/su_max          0.05
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            ln3024.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 '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 (2 times).

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 'Triclinic' changed to 'triclinic'
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 '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 (2
times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2015699