Platinum(II) and Palladium(II) Complexes of Bis(diphenylphosphino)calix[4]arene Tetrabenzyl Ether: Fluxional Behavior Caused by Two Motions
Takenaka, Kazuhiro; Obora, Yasushi; Jiang, Li Hong; Tsuji, Yasushi; Organometallics 21 (2002) 1158–; doi:10.1021/om010882q

data_4076658
_publ_section_title
;
 Platinum(II) and Palladium(II) Complexes of
 Bis(diphenylphosphino)calix[4]arene Tetrabenzyl Ether:&#x00A0; Fluxional
 Behavior Caused by Two Motions
;
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1158
_journal_paper_doi               10.1021/om010882q
_journal_volume                  21
_journal_year                    2002
_chemical_formula_moiety         'C85 H78 Cl2 O4 P2 Pt '
_chemical_formula_sum            'C85 H78 Cl2 O4 P2 Pt'
_chemical_formula_weight         1491.49
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.868(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.4988(7)
_cell_length_b                   15.0315(5)
_cell_length_c                   15.8520(7)
_cell_measurement_reflns_used    35764
_cell_measurement_temperature    126.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.1
_cell_volume                     3600.3(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 2.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9992
_diffrn_measured_fraction_theta_max 0.9992
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.072
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            8568
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    2.110
_exptl_absorpt_correction_T_max  0.810
_exptl_absorpt_correction_T_min  0.469
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.376
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         8.58
_refine_diff_density_min         -3.18
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.730
_refine_ls_number_parameters     357
_refine_ls_number_reflns         5463
_refine_ls_R_factor_gt           0.1040
_refine_ls_shift/su_max          0.0180
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.1430
_reflns_number_gt                5463
_reflns_number_total             8567
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om010882q.cif
_cod_data_source_block           '_complex5'
_cod_original_cell_volume        3600.3(2)
_cod_original_formula_sum        'C85 H78 Cl2 O4 P2 Pt '
_cod_database_code               4076658