<i>cis</i>-Dichloridobis(ethyldiphenylphosphine-κ<i>P</i>)platinum(II)
Wioleta Domanska-Babul; Chojnacki, Jaroslaw; Pikies, Jerzy; Acta Crystallographica Section E 63 (2007) m1956–m1956; doi:10.1107/S1600536807029200

data_2214352
_publ_section_title
;
 <i>cis</i>-Dichloridobis(ethyldiphenylphosphine-\k<i>P</i>)platinum(II)
;
_journal_coeditor_code           NG2281
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1956
_journal_page_last               m1956
_journal_paper_doi               10.1107/S1600536807029200
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Pt Cl2 (C14 H15 P)2]'
_chemical_formula_moiety         'C28 H30 Cl2 P2 Pt1'
_chemical_formula_sum            'C28 H30 Cl2 P2 Pt'
_chemical_formula_weight         694.45
_chemical_name_systematic
;
<i>cis</i>-Dichloridobis(ethyldiphenylphosphine-<i>\kP</i>)platinum(II)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 106.677(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.2831(6)
_cell_length_b                   11.1025(5)
_cell_length_c                   16.9556(7)
_cell_measurement_reflns_used    9761
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      32.5235
_cell_measurement_theta_min      2.8638
_cell_volume                     2575.7(2)
_computing_cell_refinement
;
CRYSALISRED (Oxford Diffraction, 2006)
;
_computing_data_collection
;
CRYSALISCCD (Oxford Diffraction, 2006)
;
_computing_data_reduction
;
CRYSALISRED
;
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material
'WinGX (Farrugia, 1999) and PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Oxford Diffraction KM-4-CCD'
_diffrn_measurement_method       '0.75\% \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0324
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            19512
_diffrn_reflns_theta_full        27
_diffrn_reflns_theta_max         27
_diffrn_reflns_theta_min         2.87
_exptl_absorpt_coefficient_mu    5.795
_exptl_absorpt_correction_T_max  0.501
_exptl_absorpt_correction_T_min  0.232
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlis RED (Oxford Diffraction, 2006; Clark & Reid, 1995).
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.791
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1360
_exptl_crystal_size_max          0.2565
_exptl_crystal_size_mid          0.1371
_exptl_crystal_size_min          0.0667
_refine_diff_density_max         2.878
_refine_diff_density_min         -1.227
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     300
_refine_ls_number_reflns         5614
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.101
_refine_ls_R_factor_gt           0.0294
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0399P)^2^+6.0673P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.072
_reflns_number_gt                5413
_reflns_number_total             5614
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ng2281.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Analytical' changed to
'analytical' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Analytical' changed to
'analytical' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        2575.69(19)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2214352
_cod_database_fobs_code          2214352