Preparation and characterization of palladium and platinum complexes bearing 1,8-bis[(diphenylphosphino)methyl]naphthalene
Yamamoto, Yasuhiro; Fukui, Yasushi; Matsubara, Katsuaki; Takeshima, Hiroya; Miyauchi, Fumiyoshi; Tanase, Tomoaki; Yamamoto, Gaku; Journal of the Chemical Society, Dalton Transactions  (2001) 1773–; doi:10.1039/b100860i

data_7010596
_publ_section_title
;
 Preparation and characterization of palladium and platinum complexes
 bearing 1,8-bis[(diphenylphosphino)methyl]naphthalene
;
_journal_issue                   11
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1773
_journal_paper_doi               10.1039/b100860i
_journal_year                    2001
_chemical_formula_sum            'C79 H80 F12 N4 O P4 Pd2'
_chemical_formula_weight         1666.20
_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'
_audit_creation_date             'Thu Jan 25 13:55:36 2001'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 108.13(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.919(6)
_cell_length_b                   25.859(9)
_cell_length_c                   14.502(9)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298.2
_cell_measurement_theta_max      12.2
_cell_measurement_theta_min      10.0
_cell_volume                     3891(4)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    'DIRDIF94 (PATTY)'
_diffrn_measured_fraction_theta_full 1.0460
_diffrn_measured_fraction_theta_max 1.0460
_diffrn_measurement_device_type  'Rigaku AFC5S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.162
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7413
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_standards_decay_%        0.60
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.619
_exptl_absorpt_correction_T_max  0.883
_exptl_absorpt_correction_T_min  0.704
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.422
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.55
_refine_diff_density_min         -3.76
_refine_ls_abs_structure_Flack   1.0(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.335
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     895
_refine_ls_number_reflns         7343
_refine_ls_R_factor_gt           0.1012
_refine_ls_shift/su_max          0.3102
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2307
_reflns_number_gt                3493
_reflns_number_total             7343
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b100860i.txt
_cod_data_source_block
afc5s.xtl_master_file[Pd2(dpmp)(MesNC)4](PF6)acetone
_cod_original_cell_volume        3891(3)
_cod_original_formula_sum        'C79 H80 F12 N4 O P4 Pd2 '
_cod_database_code               7010596