Blue luminescent zinc(II) complexes with polypyridylamine ligands: crystal structures and luminescence properties
Ho, Kin-Ying; Yu, Wing-Yiu; Cheung, Kung-Kai; Che, Chi-Ming; Journal of the Chemical Society, Dalton Transactions  (1999) 1581–; doi:10.1039/a900504h

data_7027270
_publ_contact_author
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    ENTER NAME
 ENTER ADDRESS
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_publ_section_title
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 Blue luminescent zinc(II) complexes with polypyridylamine ligands:
 crystal structures and luminescence properties
;
_journal_issue                   10
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1581
_journal_paper_doi               10.1039/a900504h
_journal_year                    1999
_chemical_formula_moiety         'C15 H13 Cl2 N5 Zn '
_chemical_formula_sum            'C15 H13 Cl2 N5 Zn'
_chemical_formula_weight         399.59
_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'
_audit_creation_date             'Fri Jan 15 11:38:32 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 103.96(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.519(2)
_cell_length_b                   17.202(2)
_cell_length_c                   12.869(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    301.2
_cell_measurement_theta_max      47.0
_cell_measurement_theta_min      41.5
_cell_volume                     1615.3(5)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    ' DIRDIF92 (PATTY) '
_diffrn_ambient_temperature      301.2
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       'omega scans with profile analysis'
_diffrn_orient_matrix_UB_11      0.13019
_diffrn_orient_matrix_UB_12      0.01815
_diffrn_orient_matrix_UB_13      0.01901
_diffrn_orient_matrix_UB_21      -0.04278
_diffrn_orient_matrix_UB_22      0.05522
_diffrn_orient_matrix_UB_23      -0.00678
_diffrn_orient_matrix_UB_31      -0.00151
_diffrn_orient_matrix_UB_32      0.00038
_diffrn_orient_matrix_UB_33      0.07748
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0178
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            1787
_diffrn_reflns_theta_max         26.01
_diffrn_standards_decay_%        -1.85
_diffrn_standards_interval_count 300
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.856
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.755
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   psi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.643
_exptl_crystal_density_meas      0.000
_exptl_crystal_description       prism
_exptl_crystal_F_000             808.00
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.32
_refine_diff_density_min         -0.20
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.605
_refine_ls_matrix_type           full
_refine_ls_number_parameters     109
_refine_ls_number_reflns         1367
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0220
_refine_ls_shift/esd_max         0.0240
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0300
_reflns_number_observed          1367
_reflns_number_total             1656
_reflns_observed_criterion       3.00
_cod_data_source_file            900504hsup1.cif
_cod_data_source_block           (Cpd_3b)
_cod_original_cell_volume        1615.4(4)
_cod_original_sg_symbol_H-M      'C 2/c      '
_cod_original_formula_sum        'C15 H13 Cl2 N5 Zn '
_cod_database_code               7027270