Bis(3-methylpyridine)bis[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato]nickel(II)
Xiong, R.-G.; You, X.-Z.; Dong, J.-X.; Huang, X.-Y.; Acta Crystallographica Section C 51 (1995) 835–837; doi:10.1107/S0108270194011935

data_2003476
_publ_section_title
Bis(3-methylpyridine)bis[4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato]nickel(II)
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              835
_journal_page_last               837
_journal_paper_doi               10.1107/S0108270194011935
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        'recrystallized from ethanol'
_chemical_formula_sum            'C28 H22 F6 N2 Ni O4 S2'
_chemical_formula_weight         687.3
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                105.30(4)
_cell_angle_beta                 91.66(5)
_cell_angle_gamma                83.68(5)
_cell_formula_units_Z            2
_cell_length_a                   10.320(8)
_cell_length_b                   16.094(7)
_cell_length_c                   9.546(4)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    296
_cell_measurement_theta_max      16.01
_cell_measurement_theta_min      10.33
_cell_volume                     1520.0(15)
_diffrn_measurement_device       'Rigaku AFC5R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.033
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            5685
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        0.2
_diffrn_standards_interval_count 250
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.842
_exptl_absorpt_correction_T_max  1.058
_exptl_absorpt_correction_T_min  0.766
_exptl_absorpt_correction_type   empirical(DIFABS)
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    1.50
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.45
_refine_diff_density_min         -0.41
_refine_ls_goodness_of_fit_obs   1.53
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     388
_refine_ls_number_reflns         2653
_refine_ls_R_factor_obs          0.058
_refine_ls_shift/esd_max         0.08
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/\s^2^(F)
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.068
_reflns_number_observed          2653
_reflns_number_total             5357
_reflns_observed_criterion       I>=3\s(I)
_cod_data_source_file            mu1115.cif
_cod_data_source_block           mu1115a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w=1/\s^2^(F)' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w=1/\s^2^(F)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1520(2)
_cod_database_code               2003476