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_4076655
_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         'C164 H146 Cl4 O11 P4 Pd2 '
_chemical_formula_sum            'C164 H146 Cl4 O11 P4 Pd2'
_chemical_formula_weight         2771.46
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                96.711(1)
_cell_angle_beta                 106.965(1)
_cell_angle_gamma                114.131(2)
_cell_formula_units_Z            1
_cell_length_a                   17.6870(1)
_cell_length_b                   17.9715(3)
_cell_length_c                   13.0832(3)
_cell_measurement_reflns_used    11235
_cell_measurement_temperature    96.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      2.0
_cell_volume                     3494.72(13)
_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 0.9908
_diffrn_measured_fraction_theta_max 0.9908
_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  0.085
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15867
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.441
_exptl_absorpt_correction_T_max  0.978
_exptl_absorpt_correction_T_min  0.978
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.317
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         3.51
_refine_diff_density_min         -1.80
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.759
_refine_ls_number_parameters     787
_refine_ls_number_reflns         8279
_refine_ls_R_factor_gt           0.0970
_refine_ls_shift/su_max          0.0060
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.001Fo^2^ + 1.000\s^2^(Fo)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1330
_reflns_number_gt                6035
_reflns_number_total             15866
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om010882q.cif
_cod_data_source_block           '_complex4'
_cod_original_cell_volume        3494.7(1)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C164 H146 Cl4 O11 P4 Pd2 '
_cod_database_code               4076655