<i>trans</i>,<i>trans</i>-[Ni~2~(CN)~4~(Me~2~PCH~2~PMe~2~)~2~]
Manojlovic-Muir, Lj.; Muir, K. W.; Rennie, M.-A.; Acta Crystallographica Section C 51 (1995) 1533–1535; doi:10.1107/S0108270194014733

data_2003792
_publ_section_title
;
 <i>trans</i>,<i>trans</i>-[Ni~2~(CN)~4~(Me~2~PCH~2~PMe~2~)~2~]
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1533
_journal_page_last               1535
_journal_paper_doi               10.1107/S0108270194014733
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        'Recrystallized from a CH~2~Cl~2~/acetone'
_chemical_formula_sum            'C14 H28 N4 Ni2 P4'
_chemical_formula_weight         493.68
_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'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 90.271(15)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.148(2)
_cell_length_b                   11.461(2)
_cell_length_c                   10.220(2)
_cell_measurement_reflns_used    23
_cell_measurement_temperature    296
_cell_measurement_theta_max      17
_cell_measurement_theta_min      12
_cell_volume                     1071.5(4)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.048
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6433
_diffrn_reflns_theta_max         30
_diffrn_standards_decay_%        2.9
_diffrn_standards_interval_time  120
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    2.066
_exptl_absorpt_correction_T_max  0.35
_exptl_absorpt_correction_T_min  0.24
_exptl_absorpt_correction_type   'empirical, (DIFABS; Walker & Stuart, 1983)'
_exptl_crystal_colour            Orange-red
_exptl_crystal_density_diffrn    1.530
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.48
_exptl_crystal_size_min          0.48
_refine_diff_density_max         0.49
_refine_diff_density_min         -0.43
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.79
_refine_ls_hydrogen_treatment    refxyz,refU
_refine_ls_number_parameters     165
_refine_ls_number_reflns         2166
_refine_ls_R_factor_obs          0.029
_refine_ls_shift/esd_max         0.095
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(|F~o~|)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.033
_reflns_number_observed          2166
_reflns_number_total             3124
_reflns_observed_criterion       I>=3\s(I)
_cod_data_source_file            hu1128.cif
_cod_data_source_block           hu1128a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/\s^2^(|F~o~|)' 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~o~|)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2003792