Synthesis, structure and luminescence properties of Cu(ii), Zn(ii) and Cd(ii) complexes with 4'-terphenylterpyridine.
Lee, Young Hoon; Kubota, Emi; Fuyuhiro, Akira; Kawata, Satoshi; Harrowfield, Jack M.; Kim, Yang; Hayami, Shinya; Dalton transactions (Cambridge, England : 2003) 41 (2012) 10825–10831; doi:10.1039/c2dt31245j

data_7020069
_publ_section_title
;
 Synthesis, structure and luminescence properties of Cu(ii), Zn(ii) and
 Cd(ii) complexes with 4'-terphenylterpyridine.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10825
_journal_page_last               10831
_journal_paper_doi               10.1039/c2dt31245j
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C69 H54 Cd Cl2 N7 O9.50'
_chemical_formula_sum            'C69 H54 Cd Cl2 N7 O9.5'
_chemical_formula_weight         1316.54
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 97.8577(13)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   51.562(3)
_cell_length_b                   9.5377(5)
_cell_length_c                   24.8064(12)
_cell_measurement_reflns_used    27984
_cell_measurement_temperature    200
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      3.04
_cell_volume                     12084.8(11)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0697
_diffrn_reflns_limit_h_max       66
_diffrn_reflns_limit_h_min       -66
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            58286
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.517
_exptl_absorpt_correction_T_max  0.995
_exptl_absorpt_correction_T_min  0.614
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            pale-pink
_exptl_crystal_density_diffrn    1.447
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             5400.00
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.010
_refine_diff_density_max         1.020
_refine_diff_density_min         -0.960
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     721
_refine_ls_number_reflns         13834
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0750
_refine_ls_shift/su_max          0.017
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1247P)^2^+17.4033P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2335
_reflns_number_gt                8331
_reflns_number_total             13834
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c2dt31245j.txt
_cod_data_source_block           Cd-tptpy-ClO4
_cod_original_cell_volume        12084.9(10)
_cod_original_formula_sum        'C69 H54 Cd Cl2 N7 O9.50'
_cod_database_code               7020069