Three AIE-ligand-based Cu(i) coordination polymers: synthesis, structures and luminescence sensing of TNP
Zhang, Jinfang; Xia, Hongchen; Ren, Simeng; Jia, Wen; Zhang, Chi; New Journal of Chemistry 44 (2020) 5285–5292; doi:10.1039/D0NJ00207K

data_7059377
_publ_section_title
;
 Three AIE-ligand-based Cu(i) coordination polymers: synthesis, structures
 and luminescence sensing of TNP
;
_journal_issue                   14
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              5285
_journal_page_last               5292
_journal_paper_doi               10.1039/D0NJ00207K
_journal_volume                  44
_journal_year                    2020
_chemical_formula_moiety         'C30 H29 N4 O2 Cu'
_chemical_formula_sum            'C30 H29 Cu N4 O2'
_chemical_formula_weight         541.11
_chemical_name_common
Catena-[4,4'-((9H-fluoren-9-ylidene)methylene)dipyridine-Copper(I)]
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2020-01-13 deposited with the CCDC.	2020-03-06 downloaded from the CCDC.
;
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_cell_measurement_temperature    150(2)
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_cell_measurement_theta_min      3.1002
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_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0511
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_diffrn_reflns_Laue_measured_fraction_full 0.996
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_diffrn_reflns_number            14579
_diffrn_reflns_point_group_measured_fraction_full 0.997
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_diffrn_reflns_theta_max         26.432
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_exptl_absorpt_coefficient_mu    0.863
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_exptl_crystal_colour            yellow
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1128
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_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.01(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         5378
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0663
_refine_ls_R_factor_gt           0.0449
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0310P)^2^+2.0726P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0928
_refine_ls_wR_factor_ref         0.1016
_reflns_Friedel_coverage         0.770
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                4336
_reflns_number_total             5378
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0nj00207k2.cif
_cod_data_source_block           S_CCDC1
_cod_depositor_comments
;Adding full bibliography for 7059375--7059377.cif.

 Adding full bibliography for 7059375--7059377.cif.
;
_cod_database_code               7059377
_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.6609
_shelx_estimated_absorpt_t_max   0.7454
_shelx_res_checksum              49842