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_7054568
_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         'C29 H30 Ag Cl N6 O4'
_chemical_formula_sum            'C29 H30 Ag Cl N6 O4'
_chemical_formula_weight         669.91
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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                71.022(2)
_cell_angle_beta                 86.393(2)
_cell_angle_gamma                66.479(2)
_cell_formula_units_Z            2
_cell_length_a                   10.2448(9)
_cell_length_b                   12.5810(11)
_cell_length_c                   13.3336(11)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     1485.7(2)
_computing_cell_refinement       'Bruker SAINT'
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_computing_data_reduction        'Bruker SAINT'
_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_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX2'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0590
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
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_diffrn_reflns_limit_k_min       -14
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_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.498
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
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_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.13
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_platon_squeeze_details          ' ?'
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_refine_ls_R_factor_all          0.0639
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0736P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                4033
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_reflns_threshold_expression     >2sigma(I)
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_cod_depositor_comments
'Adding full bibliography for 7054566--7054568.cif.'
_cod_database_code               7054568