Syntheses, structures and efficient visible light-driven photocatalytic properties of layered cuprous halides based on two types of building units.
Sun, Ai-Huan; Wei, Qi; Fu, Ai-Ping; Han, Song-De; Li, Jin-Hua; Wang, Guo-Ming; Dalton transactions (Cambridge, England : 2003) 47 (2018) 6965–6972; doi:10.1039/c7dt04733a

data_7046128
_publ_section_title
;
 Syntheses, structures and efficient visible light-driven photocatalytic
 properties of layered cuprous halides based on two types of building
 units.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6965
_journal_page_last               6972
_journal_paper_doi               10.1039/c7dt04733a
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C9 H6.49 F1.51 O2'
_chemical_formula_sum            'C9 H6.49 F1.51 O2'
_chemical_formula_weight         175.38
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-03-28 deposited with the CCDC.
2018-04-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.178(15)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_c                   31.302(11)
_cell_measurement_reflns_used    1353
_cell_measurement_temperature    373(2)
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_cell_volume                     768.5(4)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      373(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  CCD
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0918
_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_max         27.498
_diffrn_reflns_theta_min         2.603
_exptl_absorpt_coefficient_mu    0.130
_exptl_crystal_colour            colourless
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_exptl_crystal_description       plate
_exptl_crystal_F_000             360.4
_refine_diff_density_max         0.254
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1121P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                1214
_reflns_number_total             1752
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           19
_cod_depositor_comments
'Adding full bibliography for 7046123--7046152.cif.'
_cod_database_code               7046128
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              85983