Multi-colour uranyl emission efficiently tuned by hexacyanidometallates within hybrid coordination frameworks
Chorazy, Szymon; Zakrzewski, Jakub J.; Reczyński, Mateusz; Sieklucka, Barbara; Chemical Communications  (2019) –; doi:10.1039/C8CC09757G

data_7122880
_publ_section_title
;
 Multi-colour uranyl emission efficiently tuned by hexacyanidometallates
 within hybrid coordination frameworks
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C8CC09757G
_journal_year                    2019
_chemical_formula_moiety         'C52 H34 Co2 N20 O19 U4'
_chemical_formula_sum            'C52 H34 Co2 N20 O19 U4'
_chemical_formula_weight         2312.97
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
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_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_atom_sites_solution_hydrogens   mixed
_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             2018-07-07T02:57:35-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2018-07-24 deposited with the CCDC.
2019-01-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
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_cell_length_c                   12.864(6)
_cell_measurement_reflns_used    22518
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.947
_cell_measurement_theta_min      2.442
_cell_measurement_wavelength     0.71073
_cell_volume                     3089(3)
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
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_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'D8Quest Eco Photon50'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.064
_diffrn_reflns_av_unetI/netI     0.0308
_diffrn_reflns_Laue_measured_fraction_full 0.992
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_diffrn_reflns_limit_h_min       -18
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_diffrn_reflns_limit_k_min       -18
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_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            22518
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        24.947
_diffrn_reflns_theta_max         24.947
_diffrn_reflns_theta_min         2.442
_diffrn_standards_interval_time  0
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_exptl_absorpt_coefficient_mu    11.059
_exptl_absorpt_correction_T_max  0.666
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.486
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2120
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.15
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_refine_diff_density_max         1.298
_refine_diff_density_min         -2.435
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
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_refine_ls_number_parameters     226
_refine_ls_number_reflns         2688
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.205
_refine_ls_R_factor_all          0.0532
_refine_ls_R_factor_gt           0.0401
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0183P)^2^+64.0124P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0889
_refine_ls_wR_factor_ref         0.0926
_reflns_Friedel_coverage         0
_reflns_number_gt                2193
_reflns_number_total             2688
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8cc09757g2.cif
_cod_data_source_block           shelx
_cod_original_cell_volume        3090(3)
_cod_database_code               7122880
_shelx_res_checksum              10095