Dichlorobis(2-methylquinoline <i>N</i>-oxide-κ<i>O</i>)zinc(II) from powder data
Ivashevskaja, Svetlana N.; Aleshina, Lyudmila A.; Andreev, Vladimir P.; Nizhnik, Yakov P.; Chernyshev, Vladimir V.; Schenk, Hendrik; Acta Crystallographica Section C 58 (2002) m300–m301; doi:10.1107/S0108270102005292

data_2012718
_publ_section_title
;
 Dichlorobis(2-methylquinoline <i>N</i>-oxide-\k<i>O</i>)zinc(II) from
 powder data
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m300
_journal_page_last               m301
_journal_paper_doi               10.1107/S0108270102005292
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          '[Zn Cl2 (C10 H9 N O)2]'
_chemical_formula_moiety         'C20 H18 Cl2 N2 O2 Zn'
_chemical_formula_sum            'C20 H18 Cl2 N2 O2 Zn'
_chemical_formula_weight         454.63
_chemical_melting_point          493.0(10)
_chemical_name_systematic
;
Dichlorobis(2-methylquinoline N-oxide-\kO)zinc(II)
;
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_audit_creation_method           SHELXL
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.052(6)
_cell_length_b                   10.192(5)
_cell_length_c                   14.047(6)
_cell_measurement_reflns_used    30
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      18.57
_cell_measurement_theta_min      5.36
_cell_volume                     2011.8(16)
_computing_cell_refinement       'LSPAID (Visser, 1986)'
_computing_data_collection       'local program'
_computing_data_reduction        'local program'
_computing_molecular_graphics    'PLATON (Spek, 2000)'
_computing_publication_material
'MRIA, SHELXL97 (Sheldrick, 1997) and PARST (Nardelli, 1983)'
_computing_structure_refinement  MRIA
_computing_structure_solution    'MRIA (Zlokazov & Chernyshev, 1992)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'XPert PRO X-ray diffraction system'
_diffrn_radiation_monochromator  'PW3110/65, four Ge(220) crystals'
_diffrn_radiation_source         'PW3373/00, line-focus sealed tube'
_diffrn_radiation_type           CuK\a~1~
_diffrn_radiation_wavelength     1.54056
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_theta_max         35.00
_diffrn_reflns_theta_min         5.00
_exptl_absorpt_coefficient_mu    4.282
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.501
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             928
_refine_diff_density_max         0.5
_refine_diff_density_min         -0.7
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.32
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_constraints    1
_refine_ls_number_parameters     64
_refine_ls_number_restraints     74
_refine_ls_shift/su_max          0.01
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            sk1538.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
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_cod_database_code               2012718