Stereochemically inactive lone pairs in phosphorus(iii) compounds: the characterisation of some derivatives with the 2,5-(CF(3))(2)C(6)H(3) (Ar) substituent and their complexation behaviour towards Pt(ii) species.
Capel, Victoria L.; Dillon, Keith B.; Goeta, Andrés E; Howard, Judith A. K.; Monks, Philippa K.; Probert, Michael R.; Shepherd, Helena J.; Zorina, Natalia V.; Dalton transactions (Cambridge, England : 2003) 40 (2011) 1808–1816; doi:10.1039/c0dt01313g

data_7014948
_publ_section_title
;
 Stereochemically inactive lone pairs in phosphorus(iii) compounds: the
 characterisation of some derivatives with the 2,5-(CF(3))(2)C(6)H(3)
 (Ar) substituent and their complexation behaviour towards Pt(ii)
 species.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1808
_journal_page_last               1816
_journal_paper_doi               10.1039/c0dt01313g
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C24 H9 F18 P'
_chemical_formula_sum            'C24 H9 F18 P'
_chemical_formula_weight         670.28
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_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_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2010-09-29
_audit_creation_method
;
Olex2 1.1-beta
(compiled 2010.09.10 svn.r1414, GUI svn.r3225)
;
_cell_angle_alpha                100.3820(10)
_cell_angle_beta                 93.6440(10)
_cell_angle_gamma                108.8960(10)
_cell_formula_units_Z            4
_cell_length_a                   9.9017(6)
_cell_length_b                   14.8952(9)
_cell_length_c                   18.3713(11)
_cell_measurement_reflns_used    7221
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.35
_cell_measurement_theta_min      2.33
_cell_volume                     2499.8(3)
_computing_cell_refinement       'SAINT v6.45A (Bruker, 2003)'
_computing_data_collection       'SMART v5.630 (Bruker, 2003)'
_computing_data_reduction        'SAINT v6.45A (Bruker, 2003)'
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 8
_diffrn_detector_type            'Bruker SMART CCD 1K area detector'
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_orient_matrix_UB_11      -0.006652
_diffrn_orient_matrix_UB_12      -0.069471
_diffrn_orient_matrix_UB_13      -0.008974
_diffrn_orient_matrix_UB_21      0.029979
_diffrn_orient_matrix_UB_22      0.007358
_diffrn_orient_matrix_UB_23      0.054199
_diffrn_orient_matrix_UB_31      -0.102902
_diffrn_orient_matrix_UB_32      -0.019229
_diffrn_orient_matrix_UB_33      0.008663
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_xray_symbol    K-L~3~
_diffrn_reflns_av_R_equivalents  0.0403
_diffrn_reflns_av_sigmaI/netI    0.0651
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            21478
_diffrn_reflns_theta_full        26.38
_diffrn_reflns_theta_max         26.38
_diffrn_reflns_theta_min         1.14
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_current           35.0
_diffrn_source_power             1.75
_diffrn_source_target            Mo
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    0.259
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.82357
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS v.2.10 (Bruker,2003) was used for absorption correction.
R(int) was 0.0416 before and 0.0305 after correction.
The Ratio of minimum to maximum transmission is 0.823570.
The \l/2 correction factor is 0.0000
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.781
_exptl_crystal_description       block
_exptl_crystal_F_000             1320
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.640
_refine_diff_density_min         -0.480
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     775
_refine_ls_number_reflns         10178
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0820
_refine_ls_R_factor_gt           0.0507
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0420P)^2^+1.6620P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1052
_refine_ls_wR_factor_ref         0.1162
_reflns_number_gt                7127
_reflns_number_total             10178
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0DT01313G.TXT
_cod_data_source_block           ar3p
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7014948