Synthesis and near-infrared luminescence of 3d-4f bi-metallic Schiff base complexes
Wong, Wai-Kwok; Liang, Hongze; Wong, Wai-Yeung; Cai, Zongwei; Li, King-Fai; Cheah, Kok-Wai; New Journal of Chemistry 26 (2002) 275–; doi:10.1039/b104175b

data_7050680
_publ_section_title
;
 Synthesis and near-infrared luminescence of 3d-4f bi-metallic Schiff
 base complexes
;
_journal_issue                   3
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              275
_journal_paper_doi               10.1039/b104175b
_journal_volume                  26
_journal_year                    2002
_chemical_formula_moiety         'C18 H20 Ho N5 O14 Zn '
_chemical_formula_sum            'C18 H20 Ho N5 O14 Zn'
_chemical_formula_weight         760.69
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             'Wed Jan  8 17:53:34 1997'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 91.99(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.810(2)
_cell_length_b                   19.273(2)
_cell_length_c                   16.189(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298.2
_cell_measurement_theta_max      16.5
_cell_measurement_theta_min      13.2
_cell_volume                     2435.3(8)
_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    'SIR 92'
_diffrn_ambient_temperature      298.2
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      0.09447
_diffrn_orient_matrix_UB_12      -0.03476
_diffrn_orient_matrix_UB_13      -0.00382
_diffrn_orient_matrix_UB_21      0.08654
_diffrn_orient_matrix_UB_22      0.03801
_diffrn_orient_matrix_UB_23      0.00665
_diffrn_orient_matrix_UB_31      0.00098
_diffrn_orient_matrix_UB_32      -0.00628
_diffrn_orient_matrix_UB_33      0.06133
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  4.82
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            3603
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         1.0
_diffrn_standards_decay_%        -1.55
_diffrn_standards_interval_count 250
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.297
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.729
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   psi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.075
_exptl_crystal_description       block
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_exptl_crystal_size_max          0.290
_exptl_crystal_size_mid          0.260
_exptl_crystal_size_min          0.250
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_refine_diff_density_min         -0.95
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         2563
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0326
_refine_ls_shift/esd_max         0.0006
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0367
_reflns_number_observed          2563
_reflns_number_total             3322
_reflns_observed_criterion       1.50
_cod_data_source_file            b104175b.txt
_cod_data_source_block           1
_cod_depositor_comments
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The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 59 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        2435.2(7)
_cod_original_sg_symbol_H-M      'P 21/n     '
_cod_original_formula_sum        'C18 H20 Ho N5 O14 Zn '
_cod_database_code               7050680