Structure of (η^5^-cyclopentadienyl)bis(dimethylphenylphosphine)palladium(II) perchlorate
Manojlović-Muir, L.; Cross, R. J.; Hoyle, R. W.; Acta Crystallographica Section C 49 (1993) 1603–1606; doi:10.1107/S0108270193002604

data_2001374
_publ_section_title
;
 Structure of
 (\h^5^-cyclopentadienyl)bis(dimethylphenylphosphine)palladium(II)
 perchlorate
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1603
_journal_page_last               1606
_journal_paper_doi               10.1107/S0108270193002604
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C21 H27 P2 Pd1,Cl1 O4'
_chemical_formula_sum            'C21 H27 Cl O4 P2 Pd'
_chemical_formula_weight         547.3
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_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                88.285(5)
_cell_angle_beta                 74.676(5)
_cell_angle_gamma                63.459(6)
_cell_formula_units_Z            2
_cell_length_a                   8.9982(6)
_cell_length_b                   9.1024(7)
_cell_length_c                   16.7740(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      17
_cell_measurement_theta_min      14
_cell_volume                     1179.19(15)
_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_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5320
_diffrn_reflns_theta_max         27
_diffrn_standards_decay_%        <5
_diffrn_standards_interval_time  120
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.047
_exptl_absorpt_correction_T_max  1.19
_exptl_absorpt_correction_T_min  0.99
_exptl_absorpt_correction_type   ' empirical; Walker & Stuart (1983)'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.541
_exptl_crystal_description       Plate
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.48
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.73
_refine_diff_density_min         -0.45
_refine_ls_goodness_of_fit_obs   1.63
_refine_ls_hydrogen_treatment    'see text'
_refine_ls_number_parameters     521
_refine_ls_number_reflns         4845
_refine_ls_R_factor_obs          0.0238
_refine_ls_shift/esd_max         0.042
_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         0.0312
_reflns_number_observed          4845
_reflns_number_total             5320
_reflns_observed_criterion       I>=3\s(I)
_cod_data_source_file            ha1039.cif
_cod_data_source_block           ha1039_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '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_cell_volume        1179.2(2)
_cod_original_formula_sum        'C21 H27 Cl1 P2 Pd1 O4'
_cod_database_code               2001374