Structures of the pseudo-trigonal polymorphs of Cu~2~(OH)~3~Cl
Malcherek, Thomas; Schlüter, Jochen; Acta Crystallographica Section B 65 (2009) 334–341; doi:10.1107/S0108768109013901

data_2104366
_publ_section_title
;
 Structures of the pseudo-trigonal polymorphs of Cu~2~(OH)~3~Cl
;
_journal_coeditor_code           HW5003
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              334
_journal_page_last               341
_journal_paper_doi               10.1107/S0108768109013901
_journal_volume                  65
_journal_year                    2009
_chemical_formula_sum            'Cl Cu2 H3 O3'
_chemical_formula_weight         213.6
_chemical_name_systematic        ' ?'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.577(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.1226(3)
_cell_length_b                   6.8346(4)
_cell_length_c                   9.1841(6)
_cell_measurement_reflns_used    1685
_cell_measurement_temperature    294
_cell_measurement_theta_max      35.55
_cell_measurement_theta_min      3.73
_cell_volume                     378.96(4)
_computing_publication_material
'Jana2000 (Petricek, Dusek & Palatinus, 2000)'
_computing_structure_refinement
'Jana2000 (Petricek, Dusek & Palatinus, 2000)'
_diffrn_ambient_temperature      294
_diffrn_measured_fraction_theta_full 0.97
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '\f scans, and \w scans with \k offsets'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
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_exptl_absorpt_process_details
;
 R.H. Blessing, Acta Cryst. (1995), A51, 33-38
;
_exptl_crystal_colour            green
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_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.80
_refine_diff_density_min         -1.92
_refine_ls_extinction_method     none
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_refine_ls_shift/su_max          0.0002
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_refine_ls_structure_factor_coef Fsqd
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_cod_data_source_file            hw5003.cif
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_cod_original_sg_symbol_Hall     '-P 2yabc'
_cod_original_formula_sum        'H3 Cl1 Cu2 O3'
_cod_database_code               2104366
_cod_database_fobs_code          2104366