The faulted structures of [WCl~2~(PhC~2~Ph)(CH~2~=CH~2~)(PMe~3~)~2~] and [WCl~2~(PhC~2~Ph)~2~(PMe~3~)~2~]
Clark, G. R.; Nielson, A. J.; Rickard, C. E. F.; Rae, A. D.; Acta Crystallographica Section C 49 (1993) 2074–2079; doi:10.1107/S0108270193005402

data_2001139
_publ_section_title
;
 The faulted structures of [WCl~2~(PhC~2~Ph)(CH~2~=CH~2~)(PMe~3~)~2~]
 and [WCl~2~(PhC~2~Ph)~2~(PMe~3~)~2~]
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2074
_journal_page_last               2079
_journal_paper_doi               10.1107/S0108270193005402
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C34 H38 Cl2 P2 W'
_chemical_formula_weight         763.38
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 94.81(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   12.208(2)
_cell_length_b                   12.270(2)
_cell_length_c                   21.498(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295.0(10)
_cell_measurement_theta_max      17.5
_cell_measurement_theta_min      14.4
_cell_volume                     3208.9(12)
_diffrn_measurement_device       'Enraf--Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a_Zr_filter
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.022
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            6587
_diffrn_reflns_theta_max         33
_diffrn_standards_decay_%        <3
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.09
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_correction_T_min  0.906
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Lemon
_exptl_crystal_density_diffrn    1.58
_exptl_crystal_description       Tablets
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_refine_ls_goodness_of_fit_obs   1.04
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     210
_refine_ls_number_reflns         4410
_refine_ls_R_factor_obs          0.028
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0004F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.033
_reflns_number_observed          4410
_reflns_number_total             6310
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            hl1028.cif
_cod_data_source_block           hl1028_structure_2_of_2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(F) + 0.0004F^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) +
0.0004F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3208.9(1.0)
_cod_original_formula_sum        'C34 H38 Cl2 P2 W1'
_cod_database_code               2001139