Dichloro(1-trimethylsilyl-1,5-cyclooctadiene)palladium(II)
Begum, N. S.; Bandodakar, B. S.; Nagendrappa, G.; Acta Crystallographica Section C 50 (1994) 1227–1231; doi:10.1107/S0108270194000454

data_2009912
_publ_section_title
;
 Dichloro(1-trimethylsilyl-1,5-cyclooctadiene)palladium(II)
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1227
_journal_page_last               1231
_journal_paper_doi               10.1107/S0108270194000454
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C11 H20 Si1,Cl2 Pd1'
_chemical_formula_sum            'C11 H20 Cl2 Pd Si'
_chemical_formula_weight         357.5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 93.010(10)
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   12.5360(10)
_cell_length_b                   12.867(2)
_cell_length_c                   17.759(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      9.0
_cell_volume                     2860.6(6)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       '\w/2\q mode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71079
_diffrn_reflns_av_R_equivalents  0.04
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            4958
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        2
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    166
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.659
_exptl_crystal_density_meas      1.657
_exptl_crystal_density_method    'flotation in aqueous KI solution'
_exptl_crystal_description       Rectangular
_exptl_crystal_size_max          0.275
_exptl_crystal_size_mid          0.275
_exptl_crystal_size_min          0.025
_refine_diff_density_max         0.66
_refine_diff_density_min         -0.57
_refine_ls_goodness_of_fit_obs   0.89
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     457
_refine_ls_number_reflns         4275
_refine_ls_R_factor_obs          0.037
_refine_ls_shift/esd_max         0.08
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^|F~o~| + 0.0033|F~o~|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.044
_reflns_number_observed          4275
_reflns_number_total             4284
_reflns_observed_criterion       I>1.5\s(I)
_cod_data_source_file            ab1098.cif
_cod_data_source_block           ab1098_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^|F~o~| +
0.0033|F~o~|^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~o~| + 0.0033|F~o~|^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2860.7(3)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C11 H20 Cl2 Pd1 Si1'
_cod_database_code               2009912