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_7010235
_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 H26 F12 N4 P2 Pt '
_chemical_formula_sum            'C26 H26 F12 N4 P2 Pt'
_chemical_formula_weight         879.54
_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             'Wed Aug 24 11:38:45 2000'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                97.21(4)
_cell_angle_beta                 105.97(3)
_cell_angle_gamma                86.52(3)
_cell_formula_units_Z            2
_cell_length_a                   11.762(4)
_cell_length_b                   19.455(8)
_cell_length_c                   6.903(3)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    294.5
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.8
_cell_volume                     1506.1(11)
_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
_computing_structure_solution    'DIRDIF92 (PATTY)'
_diffrn_ambient_temperature      294.5
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      0.07879
_diffrn_orient_matrix_UB_12      -0.02458
_diffrn_orient_matrix_UB_13      0.01880
_diffrn_orient_matrix_UB_21      -0.02814
_diffrn_orient_matrix_UB_22      -0.03681
_diffrn_orient_matrix_UB_23      0.06328
_diffrn_orient_matrix_UB_31      -0.02873
_diffrn_orient_matrix_UB_32      -0.02697
_diffrn_orient_matrix_UB_33      -0.13655
_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  0.057
_diffrn_reflns_av_sigmaI/netI    0.066
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            7462
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.49
_diffrn_standards_decay_%        -2.82
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.846
_exptl_absorpt_correction_T_max  0.769
_exptl_absorpt_correction_T_min  0.645
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   Tompa_analytical
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.939
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             852.00
_exptl_crystal_size_max          0.920
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.060
_refine_diff_density_max         4.88
_refine_diff_density_min         -2.22
_refine_diff_density_rms         0.28
_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   1.282
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         6885
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.282
_refine_ls_R_factor_all          0.1040
_refine_ls_R_factor_gt           0.0619
_refine_ls_shift/su_max          0.0690
_refine_ls_shift/su_mean         0.0020
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2271
_reflns_number_gt                5043
_reflns_number_total             6885
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            b007292n.txt
_cod_data_source_block           '[Pt(en)(bpy)](PF6)2.phe(3)'
_cod_original_cell_volume        1505(1)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C26 H26 F12 N4 P2 Pt '
_cod_database_code               7010235