Two forms of <i>cis</i>-dimethylbis(methyl isocyanide)platinum(II)
Dryden, N. H.; Puddephatt, R. J.; Roy, S.; Vittal, J. J.; Acta Crystallographica Section C 50 (1994) 533–536; doi:10.1107/S010827019301025X

data_2009590
_publ_section_title
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 Two forms of <i>cis</i>-dimethylbis(methyl isocyanide)platinum(II)
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_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              533
_journal_page_last               536
_journal_paper_doi               10.1107/S010827019301025X
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C6 H12 N2 Pt'
_chemical_formula_weight         307.266
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_atom_type_scat_source
'IntTabIV (non-H); Stewart, Davidson & Simpson (1965) (H)'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   25.3136(15)
_cell_length_b                   6.0161(7)
_cell_length_c                   11.3754(12)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    298
_cell_measurement_theta_max      37.81
_cell_measurement_theta_min      30.85
_cell_volume                     1732.3(3)
_diffrn_measurement_device       'Enraf-Nonius CAD-4F'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.022
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -2
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -2
_diffrn_reflns_number            4142
_diffrn_reflns_theta_max         60
_diffrn_standards_decay_%        22.5
_diffrn_standards_interval_time  180
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    28.14
_exptl_absorpt_correction_T_max  0.154
_exptl_absorpt_correction_T_min  0.019
_exptl_absorpt_correction_type   'analytical (AGNOST; Cahen & Ibers, 1972)'
_exptl_crystal_colour            'colorless, transparent'
_exptl_crystal_density_diffrn    2.355
_exptl_crystal_density_meas      2.39(5)
_exptl_crystal_description       'hexagonal shape with ten faces'
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.555
_refine_diff_density_min         -0.868
_refine_ls_extinction_coef       0.00242(8)
_refine_ls_extinction_method     'F* = F(1-0.001\cF^2^/sin\q)'
_refine_ls_number_parameters     84
_refine_ls_number_reflns         937
_refine_ls_R_factor_obs          0.0239
_refine_ls_shift/esd_max         -0.0017
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.001234F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0250
_reflns_number_observed          937
_reflns_number_total             1290
_reflns_observed_criterion       I>3.0\s(I)
_cod_data_source_file            br1043.cif
_cod_data_source_block           br1043_structure_1_of_2
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F) + 0.001234F^2^]' 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) +
0.001234F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        1732.4(3)
_cod_original_formula_sum        'C6 H12 N2 Pt1'
_cod_database_code               2009590