<i>catena</i>-Poly[[dipyridinenickel(II)]-<i>trans</i>-di-μ-chlorido] from powder data
Alig, Edith; Bernert, Thomas; Fink, Lothar; Külcü, Nevzat; Yeşilkaynak, Tuncay; Acta Crystallographica Section E 66 (2010) m239–; doi:10.1107/S1600536810001820

data_2224928
_publ_section_title
;
 <i>catena</i>-Poly[[dipyridinenickel(II)]-<i>trans</i>-di-\m-chlorido]
 from powder data
;
_journal_coeditor_code           CV2682
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m239
_journal_paper_doi               10.1107/S1600536810001820
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Ni Cl2 (C5 H5 N)2]'
_chemical_formula_moiety         'C10 H10 Cl2 N2 Ni'
_chemical_formula_structural     'C10 H10 Cl2 N2 Ni'
_chemical_formula_sum            'C10 H10 Cl2 N2 Ni'
_chemical_formula_weight         287.79
_chemical_name_systematic
;
<i>catena</i>-Poly[[dipyridinenickel(II)]-<i>trans</i>-di-\m-chlorido]
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.883(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.2483(4)
_cell_length_b                   3.62535(4)
_cell_length_c                   17.3504(2)
_cell_measurement_temperature    298
_cell_volume                     1079.90(3)
_computing_cell_refinement       'DASH (David <i> et al.</i>, 2004)'
_computing_data_collection       'WINXPOW (Stoe & Cie, 2004)'
_computing_data_reduction        'WINXPOW (Stoe & Cie, 2004'
_computing_molecular_graphics    'Mercury (Macrae <i>et al.</i>, 2006)'
_computing_publication_material  'PLATON (Spek, 2009)'
_computing_structure_refinement  'TOPAS (Coelho, 2007)'
_computing_structure_solution    'DASH (David <i>et al.</i>, 2004)'
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'Stoe Stadi-P'
_diffrn_radiation_monochromator  'primary focussing, Ge 111'
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Cu K\a~1~'
_diffrn_radiation_wavelength     1.54056
_exptl_absorpt_coefficient_mu    6.850
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.770
_exptl_crystal_F_000             584.0
_pd_char_colour                  'light green'
_pd_char_particle_morphology     'no specific habit'
_pd_instr_location
;
?
;
_pd_meas_2theta_range_inc        0.01
_pd_meas_2theta_range_max        110
_pd_meas_2theta_range_min        2
_pd_meas_number_of_points        10599
_pd_meas_scan_method             step
_pd_prep_temperature             400
_pd_proc_info_excluded_regions   none
_pd_proc_ls_background_function  'Chebychev polynomial'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function
;
modified Thompson--Cox--Hastings pseudo-Voigt (Young, 1993)
;
_pd_proc_ls_prof_R_factor        0.02394
_pd_proc_ls_prof_wR_expected     0.02753
_pd_proc_ls_prof_wR_factor       0.03209
_pd_spec_mounting
;
Specimen was sealed in a 0.5 mm diameter borosilicate glass capillary
;
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_pd_spec_size_axial              12
_pd_spec_size_equat              0.5
_pd_spec_size_thick              0.5
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.165
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_constraints    3
_refine_ls_number_parameters     126
_refine_ls_number_restraints     61
_refine_ls_shift/su_max          0.001
_refine_ls_weighting_details     'w = 1/\s(Y~obs~)^2^'
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            cv2682.cif
_cod_data_source_block           I
_cod_original_cell_volume        1079.91(3)
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               2224928