Fine Tuning of Multicolored Photoluminescence in Crystalline Magnetic Materials Constructed of Trimetallic EuxTb1-x[Co(CN)6] Cyanido-Bridged Chains.
Chorazy, Szymon; Kumar, Kunal; Nakabayashi, Koji; Sieklucka, Barbara; Ohkoshi, Shin-Ichi; Inorganic chemistry 56 (2017) 5239–5252; doi:10.1021/acs.inorgchem.7b00369

data_4345849
_publ_section_title
;
 Fine Tuning of Multicolored Photoluminescence in Crystalline Magnetic
 Materials Constructed of Trimetallic EuxTb1-x[Co(CN)6] Cyanido-Bridged
 Chains.
;
_journal_issue                   9
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5239
_journal_page_last               5252
_journal_paper_doi               10.1021/acs.inorgchem.7b00369
_journal_volume                  56
_journal_year                    2017
_chemical_formula_moiety         'C16 H20 Co N8 O7 Tb'
_chemical_formula_sum            'C16 H20 Co N8 O7 Tb'
_chemical_formula_weight         654.25
_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   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_creation_date             2016-10-21T13:17:59-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 116.614(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.8279(6)
_cell_length_b                   9.1964(4)
_cell_length_c                   17.6223(7)
_cell_measurement_reflns_used    10859
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.456
_cell_measurement_theta_min      3.212
_cell_measurement_wavelength     0.71075
_cell_volume                     2293.3(2)
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0687
_diffrn_reflns_av_unetI/netI     0.0585
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            10859
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.456
_diffrn_reflns_theta_min         3.212
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.836
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8382
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.895
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1280
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.911
_refine_diff_density_min         -4.171
_refine_diff_density_rms         0.206
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.164
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     186
_refine_ls_number_reflns         2618
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.162
_refine_ls_R_factor_all          0.0593
_refine_ls_R_factor_gt           0.048
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0172P)^2^+27.9319P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0762
_refine_ls_wR_factor_ref         0.0789
_reflns_Friedel_coverage         0
_reflns_number_gt                2363
_reflns_number_total             2618
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic7b00369_si_002.cif
_cod_data_source_block           TbCo
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4345849
_shelx_estimated_absorpt_t_min   0.635
_shelx_estimated_absorpt_t_max   0.862