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_7010234
_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_moiety         'C26 H28 F12 N6 O2 P2 Pt '
_chemical_formula_sum            'C26 H28 F12 N6 O2 P2 Pt'
_chemical_formula_weight         941.56
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             'Mon Aug 22 11:45:23 2000'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 102.64(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.945(5)
_cell_length_b                   35.895(8)
_cell_length_c                   13.249(5)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      14.8
_cell_measurement_theta_min      12.7
_cell_volume                     3223(3)
_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  SHELXL93
_diffrn_ambient_temperature      293.2
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w
_diffrn_orient_matrix_UB_11      0.06063
_diffrn_orient_matrix_UB_12      -0.02276
_diffrn_orient_matrix_UB_13      -0.02360
_diffrn_orient_matrix_UB_21      0.10829
_diffrn_orient_matrix_UB_22      0.00092
_diffrn_orient_matrix_UB_23      0.06363
_diffrn_orient_matrix_UB_31      -0.07983
_diffrn_orient_matrix_UB_32      -0.01604
_diffrn_orient_matrix_UB_33      0.03711
_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  0.074
_diffrn_reflns_av_sigmaI/netI    0.242
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -46
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7974
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         2.27
_diffrn_standards_decay_%        -1.19
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.542
_exptl_absorpt_correction_T_max  0.873
_exptl_absorpt_correction_T_min  0.728
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   Tompa_analytical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.940
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1832.00
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.020
_refine_diff_density_max         0.83
_refine_diff_density_min         -1.82
_refine_diff_density_rms         0.16
_refine_ls_extinction_coef       0.0000
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.954
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         7384
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.954
_refine_ls_R_factor_all          0.2332
_refine_ls_R_factor_gt           0.0461
_refine_ls_shift/su_max          0.0120
_refine_ls_shift/su_mean         0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.0502P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1517
_reflns_number_gt                2782
_reflns_number_total             7384
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            b007292n.txt
_cod_data_source_block           '[Pt(en)(phen)](PF6)2.phen.2H2O(2)'
_cod_original_cell_volume        3223(2)
_cod_original_sg_symbol_H-M      'P 21/c       '
_cod_original_formula_sum        'C26 H28 F12 N6 O2 P2 Pt '
_cod_database_code               7010234