Halide-modulated bistate and tristate fluorescence switching for Cu(i) and Ag(i) complexes
Chou, Chang-Chuan; Liu, Hsueh-Ju; Chao, Lucas Hung-Chieh; Yang, Chia-Chi; New J. Chem. 39 (2015) 1260–; doi:10.1039/C4NJ01639D

data_7054566
_publ_section_title
;
 Halide-modulated bistate and tristate fluorescence switching for Cu(i)
 and Ag(i) complexes
;
_journal_issue                   2
_journal_name_full               'New J. Chem.'
_journal_page_first              1260
_journal_paper_doi               10.1039/C4NJ01639D
_journal_volume                  39
_journal_year                    2015
_chemical_formula_moiety         'C30 H32 Br Cl2 Cu N6'
_chemical_formula_sum            'C30 H32 Br Cl2 Cu N6'
_chemical_formula_weight         690.97
_chemical_name_systematic
;
 ?
;
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_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
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_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-11-25 deposited with the CCDC.
2014-11-27 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 98.7790(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
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_cell_measurement_temperature    200(2)
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_cell_measurement_theta_min      2.037
_cell_volume                     2945.16(12)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
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_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_av_R_equivalents  0.0916
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_diffrn_reflns_limit_h_max       15
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_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -14
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 'SADABS'
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.558
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1408
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_refine_ls_number_reflns         5197
_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.0859
_refine_ls_R_factor_gt           0.0610
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0949P)^2^+7.8503P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1627
_refine_ls_wR_factor_ref         0.1863
_reflns_number_gt                4024
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4nj01639d2.cif
_cod_data_source_block           9341
_cod_depositor_comments
'Adding full bibliography for 7054566--7054568.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7054566