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_4076656
_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         'C43 H35 Br2 Cl3 O4 '
_chemical_formula_sum            'C43 H35 Br2 Cl3 O4'
_chemical_formula_weight         881.91
_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                90.831(4)
_cell_angle_beta                 117.980(5)
_cell_angle_gamma                103.070(3)
_cell_formula_units_Z            2
_cell_length_a                   11.6883(9)
_cell_length_b                   16.093(2)
_cell_length_c                   11.431(1)
_cell_measurement_reflns_used    9126
_cell_measurement_temperature    126.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.7
_cell_volume                     1831.4(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    SIR88
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9857
_diffrn_measured_fraction_theta_max 0.9857
_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  0.036
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8272
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    2.483
_exptl_absorpt_correction_T_max  0.609
_exptl_absorpt_correction_T_min  0.427
_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    1.599
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.25
_refine_diff_density_min         -1.22
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.211
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     504
_refine_ls_number_reflns         5513
_refine_ls_R_factor_gt           0.0400
_refine_ls_shift/su_max          0.0000
_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         0.0520
_reflns_number_gt                5513
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om010882q.cif
_cod_data_source_block           '_calix[4]arene1'
_cod_original_cell_volume        1831.3(3)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C43 H35 Br2 Cl3 O4 '
_cod_database_code               4076656