Synthesis and spectroscopic properties of modular platinum(II) terpyridine phosphorescent pockets
Tong, Wah-Leung; Chan, Michael C. W.; Zhu, Nianyong; Leung, Sze-Kar; Dalton Transactions  (2009) 4741–4746; doi:10.1039/b900030e

data_7001462
_publ_section_title
;
 Synthesis and spectroscopic properties of modular platinum(II)
 terpyridine phosphorescent pockets
;
_journal_issue                   24
_journal_name_full               'Dalton Transactions'
_journal_page_first              4741
_journal_page_last               4746
_journal_paper_doi               10.1039/b900030e
_journal_year                    2009
_chemical_formula_moiety         'C46 H45 Cl2 N3 O7 Pt'
_chemical_formula_sum            'C46 H45 Cl2 N3 O7 Pt'
_chemical_formula_weight         1017.84
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 113.71(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.261(7)
_cell_length_b                   12.008(4)
_cell_length_c                   21.963(7)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     5134(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR-97
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker Smart CCD 1000'
_diffrn_measurement_method       'w scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1083
_diffrn_reflns_av_sigmaI/netI    0.1449
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            27263
_diffrn_reflns_theta_full        25.68
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         1.87
_exptl_absorpt_coefficient_mu    2.883
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.629917
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.317
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2040
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_refine_diff_density_max         3.732
_refine_diff_density_min         -1.119
_refine_diff_density_rms         0.211
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.777
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     477
_refine_ls_number_reflns         9693
_refine_ls_number_restraints     79
_refine_ls_restrained_S_all      0.777
_refine_ls_R_factor_all          0.1510
_refine_ls_R_factor_gt           0.0812
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1255P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1892
_refine_ls_wR_factor_ref         0.2134
_reflns_number_gt                3824
_reflns_number_total             9693
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b900030e.txt
_cod_data_source_block           wt1194(MCW_Chan)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7001462