Structure of [(CH~3~)~2~NH~2~]~2~CoCl~4~ at elevated temperatures
Mahmoudkhani, Amir H.; Langer, Vratislav; Acta Crystallographica Section B 55 (1999) 752–757; doi:10.1107/S0108768199004012

data_2105640
_publ_section_title
;
 Structure of [(CH~3~)~2~NH~2~]~2~CoCl~4~ at elevated temperatures
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              752
_journal_page_last               757
_journal_paper_doi               10.1107/S0108768199004012
_journal_volume                  55
_journal_year                    1999
_chemical_formula_moiety         '2(C2 H8 N),Co Cl4'
_chemical_formula_sum            'C4 H16 Cl4 Co N2'
_chemical_formula_weight         292.92
_chemical_name_systematic
;
Dimethylammonium tetrachlorocobaltate(II)
;
_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'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.0100(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.5513(5)
_cell_length_b                   11.4527(7)
_cell_length_c                   13.3364(8)
_cell_measurement_reflns_used    2719
_cell_measurement_temperature    320(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      1
_cell_volume                     1306.11(14)
_computing_cell_refinement       'Siemens SAINT'
_computing_data_collection       'Siemens SMART'
_computing_data_reduction        'Siemens SAINT & SADABS'
_computing_molecular_graphics    SHELXTL
_computing_structure_refinement  'SHELXTL (Bruker AXS, 1997)'
_computing_structure_solution    'SHELXTL (Bruker AXS, 1997)'
_diffrn_ambient_temperature      320(2)
_diffrn_detector_area_resol_mean no
_diffrn_measurement_device_type  'Siemens SMART CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0363
_diffrn_reflns_av_sigmaI/netI    .0461
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            6082
_diffrn_reflns_theta_full        25.36
_diffrn_reflns_theta_max         25.36
_diffrn_reflns_theta_min         2.34
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count no
_diffrn_standards_interval_time  no
_diffrn_standards_number         no
_exptl_absorpt_coefficient_mu    2.088
_exptl_absorpt_correction_T_max  .8850
_exptl_absorpt_correction_T_min  .4216
_exptl_absorpt_correction_type
'multi-scan (Blessing, 1995; Sheldrick, 1996)'
_exptl_absorpt_process_details   'Blessing, Acta Cryst. (1995), A51, 33-38.'
_exptl_crystal_colour            dark-blue
_exptl_crystal_density_diffrn    1.490
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             596
_exptl_crystal_size_max          .50
_exptl_crystal_size_mid          .35
_exptl_crystal_size_min          .06
_refine_diff_density_max         .284
_refine_diff_density_min         -.343
_refine_ls_extinction_coef       .0072(8)
_refine_ls_extinction_method     'SHELXTL (Bruker AXS, 1997)'
_refine_ls_goodness_of_fit_ref   .989
_refine_ls_hydrogen_treatment    'See experimental'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     121
_refine_ls_number_reflns         2397
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      .989
_refine_ls_R_factor_all          .0617
_refine_ls_R_factor_gt           .0341
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0398P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .0841
_reflns_number_gt                1688
_reflns_number_total             2397
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            os0024.cif
_cod_data_source_block           320
_cod_database_code               2105640