Intermolecular interactions boost aggregation induced emission in carbazole Schiff base derivatives.
Gan, Xiaoping; Liu, Guangjin; Chu, Mingjie; Xi, Wengang; Ren, Zili; Zhang, Xiuli; Tian, Yupeng; Zhou, Hongping; Organic & biomolecular chemistry 15 (2016) 256–264; doi:10.1039/c6ob02181f

data_7155372
_publ_section_title
;
 Intermolecular interactions boost aggregation induced emission in
 carbazole Schiff base derivatives.
;
_journal_issue                   1
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              256
_journal_page_last               264
_journal_paper_doi               10.1039/c6ob02181f
_journal_volume                  15
_journal_year                    2016
_chemical_formula_moiety         'Cu2 F4 Fe H8 O8 P'
_chemical_formula_sum            'Cu2 F4 Fe H8 O8 P'
_chemical_formula_weight         425.98
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_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_creation_method           SHELXL-2014/7
_audit_update_record
;
2014-12-23 deposited with the CCDC.
2016-11-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.2879(14)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.7546(4)
_cell_length_b                   12.1290(6)
_cell_length_c                   9.9209(6)
_cell_measurement_temperature    296(2)
_cell_volume                     900.10(8)
_computing_cell_refinement       RAPID-AUTO
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_computing_data_reduction        RAPID-AUTO
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0286
_diffrn_reflns_av_unetI/netI     0.0141
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
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_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            8558
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
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_diffrn_reflns_theta_min         3.200
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_type              graphite
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_exptl_absorpt_correction_T_min  0.682
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   RAPID-AUTO-2.4
_exptl_crystal_colour            blue
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     87
_refine_ls_number_reflns         822
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_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0189
_refine_ls_R_factor_gt           0.0171
_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^)+(0.0269P)^2^+3.9421P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0480
_refine_ls_wR_factor_ref         0.0489
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_reflns_number_gt                776
_reflns_number_total             822
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6ob02181f2.cif
_cod_data_source_block           Cu2FeF4H8O8P
_cod_depositor_comments
'Adding full bibliography for 7155369--7155373.cif.'
_cod_original_cell_volume        900.09(8)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7155372
_shelx_res_checksum              14222