Synthesis and co-ordination chemistry of perfluorovinyl phosphine derivatives. Single crystal structures of PPh(CFCF2)2, cis-[PtCl2{PPh2(CFCF2)}2] and [{AuCl[PPh2(CFCF2)]}2]
Banger, Kulbinder K.; Banham, Russell P.; Brisdon, Alan K.; Cross, Wendy I.; Damant, Greame; Parsons, Simon; Pritchard, Robin G.; Sousa-Pedrares, Antonio; Journal of the Chemical Society, Dalton Transactions  (1999) 427–; doi:10.1039/a806535g

data_7027078
_publ_section_title
;
 Synthesis and co-ordination chemistry of perfluorovinyl phosphine
 derivatives. Single crystal structures of PPh(CF&#xE006;CF2)2,
 cis-[PtCl2{PPh2(CF&#xE006;CF2)}2] and [{AuCl[PPh2(CF&#xE006;CF2)]}2]
;
_journal_issue                   3
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              427
_journal_paper_doi               10.1039/a806535g
_journal_year                    1999
_chemical_formula_sum            'C28 H20 Cl2 F6 P2 Pt'
_chemical_formula_weight         798.37
_chemical_name_systematic
; 
 ? 
;
_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_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.231(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.083(3)
_cell_length_b                   15.162(2)
_cell_length_c                   16.668(3)
_cell_measurement_temperature    146(2)
_cell_volume                     2756.4(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      146(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0802
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4843
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.83
_exptl_absorpt_coefficient_mu    5.459
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.924
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1536
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.179
_refine_diff_density_min         -1.431
_refine_diff_density_rms         0.198
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.916
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         4843
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.916
_refine_ls_R_factor_all          0.0947
_refine_ls_R_factor_gt           0.0467
_refine_ls_shift/su_max          0.117
_refine_ls_shift/su_mean         0.014
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1156
_refine_ls_wR_factor_ref         0.1396
_reflns_number_gt                3382
_reflns_number_total             4843
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            806535gsup1.cif
_cod_data_source_block           cal2b
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        2756.6(10)
_cod_original_sg_symbol_H-M      'P 2(1)/n'
_cod_database_code               7027078