Platinum(II) tetramesityltetraphosphane-1,4-diides
Gómez-Ruiz, Santiago; Gallego, Beatriz; Hey-Hawkins, Evamarie; Dalton Transactions  (2009) 2915–2920; doi:10.1039/b822675j

data_7001023
_publ_section_title
;
 Platinum(II) tetramesityltetraphosphane-1,4-diides
;
_journal_issue                   16
_journal_name_full               'Dalton Transactions'
_journal_page_first              2915
_journal_page_last               2920
_journal_paper_doi               10.1039/b822675j
_journal_year                    2009
_chemical_formula_sum            'C49 H65 N2 P4 Pt'
_chemical_formula_weight         1001
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_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_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2008-09-30T15:51:01-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                74.4470(10)
_cell_angle_beta                 75.845(7)
_cell_angle_gamma                69.4700(10)
_cell_formula_units_Z            2
_cell_length_a                   11.6057(2)
_cell_length_b                   11.8615(9)
_cell_length_c                   19.3947(11)
_cell_measurement_reflns_used    14485
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      32.4222
_cell_measurement_theta_min      2.5832
_cell_volume                     2375.0(2)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      130(2)
_diffrn_detector_area_resol_mean 16.356
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'ccd xcalibur s'
_diffrn_measurement_method       '\w scans and \f scans'
_diffrn_orient_matrix_UB_11      -0.001835802
_diffrn_orient_matrix_UB_12      -0.0084821032
_diffrn_orient_matrix_UB_13      0.0356231781
_diffrn_orient_matrix_UB_21      0.0352272308
_diffrn_orient_matrix_UB_22      -0.0211986606
_diffrn_orient_matrix_UB_23      0.0104898934
_diffrn_orient_matrix_UB_31      0.0159434924
_diffrn_orient_matrix_UB_32      0.0478990628
_diffrn_orient_matrix_UB_33      0.0101305612
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0478
_diffrn_reflns_av_unetI/netI     0.071
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            32029
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.59
_exptl_absorpt_coefficient_mu    3.123
_exptl_absorpt_correction_T_max  0.939
_exptl_absorpt_correction_T_min  0.741
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.4
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needles
_exptl_crystal_F_000             1022
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.341
_refine_diff_density_min         -0.562
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.894
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     524
_refine_ls_number_reflns         9585
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.899
_refine_ls_R_factor_all          0.0418
_refine_ls_R_factor_gt           0.0278
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0179P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0455
_refine_ls_wR_factor_ref         0.0466
_reflns_number_gt                7585
_reflns_number_total             9585
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b822675j.txt
_cod_data_source_block           p-1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7001023