Bis(antazoline)dichlorozinc(II)
Parvez, M.; Rusiewicz, M.; Acta Crystallographica Section C 51 (1995) 2277–2279; doi:10.1107/S0108270195006548

data_2004130
_publ_section_title
;
 Bis(antazoline)dichlorozinc(II)
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2277
_journal_page_last               2279
_journal_paper_doi               10.1107/S0108270195006548
_journal_volume                  51
_journal_year                    1995
_chemical_formula_analytical     'C34 H38 N6 Zn Cl2'
_chemical_formula_moiety         '(C17 H19 N3)2,ZnCl2'
_chemical_formula_sum            'C34 H38 Cl2 N6 Zn'
_chemical_formula_weight         667.00
_chemical_name_common            Dichloro-bis(antazoline)-zinc(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                95.76(2)
_cell_angle_beta                 90.62(2)
_cell_angle_gamma                90.87(2)
_cell_formula_units_Z            2
_cell_length_a                   8.324(2)
_cell_length_b                   24.833(5)
_cell_length_c                   8.1780(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      32.5
_cell_measurement_theta_min      28.2
_cell_volume                     1681.6(6)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1988)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1994)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_computing_structure_solution    'PATTY in DIRDIF (Beurskens et al., 1992)'
_diffrn_ambient_temperature      296
_diffrn_measurement_device       'Rigaku AFC-6S'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0252
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            6389
_diffrn_reflns_theta_max         25.0
_diffrn_reflns_theta_min         2
_diffrn_standards_decay_%        0.2
_diffrn_standards_interval_count 200
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.922
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.762
_exptl_absorpt_correction_type
'empirical via \y scan (North, Phillips & Mathews, 1968)'
_exptl_absorpt_process_details   'psi-scan 3 reflections'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.317
_exptl_crystal_description       needle
_exptl_crystal_F_000             696
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.09
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_refine_diff_density_min         -0.55
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment
;
H atoms geometrically idealized (riding with C---H and N---H = 0.95\%A)
;
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         2265
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.061
_refine_ls_shift/esd_max         0.008
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.059
_reflns_number_observed          2265
_reflns_number_total             5941
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            fg1074.cif
_cod_data_source_block           FG1074
_cod_original_cell_volume        1681.6(5)
_cod_database_code               2004130