Selective formation of integrated stacks of (α-diimine)(ethylenediamine)platinum(II) and neutral π systems of the phenanthrene type †
Kato, Masako; Takahashi, Junko; Sugimoto, Yukihiro; Kosuge, Chizuko; Kishi, Shinobu; Yano, Shigenobu; Journal of the Chemical Society, Dalton Transactions  (2001) 747–; doi:10.1039/b007292n

data_7010233
_publ_section_title
;
 Selective formation of integrated stacks of
 (\a-diimine)(ethylenediamine)platinum(II) and neutral \p systems of
 the phenanthrene type&#x200A;&#x2020;
;
_journal_issue                   5
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              747
_journal_paper_doi               10.1039/b007292n
_journal_year                    2001
_chemical_formula_sum            'C24 H28 F12 N6 O2 P2 Pt'
_chemical_formula_weight         917.54
_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'
_audit_creation_date             'Mon Apr  5 15:40:36 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                91.38(6)
_cell_angle_beta                 104.02(5)
_cell_angle_gamma                87.67(4)
_cell_formula_units_Z            2
_cell_length_a                   10.837(6)
_cell_length_b                   21.00(1)
_cell_length_c                   7.149(6)
_cell_measurement_reflns_used    22
_cell_measurement_temperature    298.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.7
_cell_volume                     1577.0(18)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control'
_computing_data_collection       'Rigaku/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    'DIRDIF92 (PATTY)'
_diffrn_ambient_temperature      298.2
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      -0.05851
_diffrn_orient_matrix_UB_12      0.03670
_diffrn_orient_matrix_UB_13      -0.05370
_diffrn_orient_matrix_UB_21      -0.07350
_diffrn_orient_matrix_UB_22      -0.02893
_diffrn_orient_matrix_UB_23      -0.02936
_diffrn_orient_matrix_UB_31      -0.01521
_diffrn_orient_matrix_UB_32      0.00936
_diffrn_orient_matrix_UB_33      0.13056
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.043
_diffrn_reflns_av_sigmaI/netI    0.091
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            5900
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         1.94
_diffrn_standards_decay_%        -24.89
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.639
_exptl_absorpt_correction_T_max  0.873
_exptl_absorpt_correction_T_min  0.819
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   Tompa_analytical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.932
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             892.00
_exptl_crystal_size_max          0.740
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.030
_refine_diff_density_max         1.42
_refine_diff_density_min         -1.39
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.496
_refine_ls_goodness_of_fit_ref   1.496
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     424
_refine_ls_number_reflns         5572
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0987
_refine_ls_R_factor_gt           0.0448
_refine_ls_shift/su_max          0.0210
_refine_ls_shift/su_mean         0.0020
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo^2^) + 0.00020(Fo^2^)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1017
_refine_ls_wR_factor_gt          0.0945
_refine_ls_wR_factor_ref         0.1017
_reflns_number_gt                3833
_reflns_number_total             5572
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            b007292n.txt
_cod_data_source_block           '[Pt(en)(bpy)](PF6)2.phen.2H2O(1)'
_cod_original_cell_volume        1577(1)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C24 H28 F12 N6 O2 P2 Pt '
_cod_database_code               7010233