Synthesis, structures and luminescence properties of amine-bis(N-heterocyclic carbene) copper(i) and silver(i) complexes.
Lu, Taotao; Wang, Jin-Yun; Shi, Lin-Xi; Chen, Zhong-Ning; Chen, Xue-Tai; Xue, Zi-Ling; Dalton transactions (Cambridge, England : 2003) 47 (2018) 6742–6753; doi:10.1039/c8dt00599k

data_7046051
_publ_section_title
;
 Synthesis, structures and luminescence properties of
 amine-bis(N-heterocyclic carbene) copper(i) and silver(i) complexes.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6742
_journal_page_last               6753
_journal_paper_doi               10.1039/c8dt00599k
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C46 H55.5 Ag Cu2 F18 N13 O0.25 P3'
_chemical_formula_weight         1464.39
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-03-13 deposited with the CCDC.
2018-04-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_measurement_reflns_used    9911
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      27.21
_cell_measurement_theta_min      2.30
_cell_volume                     5626.8(14)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'APEX2 CCD detector'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0543
_diffrn_reflns_av_unetI/netI     0.0484
_diffrn_reflns_Laue_measured_fraction_full 0.995
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_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
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_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            49498
_diffrn_reflns_point_group_measured_fraction_full 0.995
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_diffrn_source                   'microfocus (I\ms)'
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_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.2659
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            yellow
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
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_refine_ls_number_restraints     64
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_refine_ls_R_factor_all          0.0504
_refine_ls_R_factor_gt           0.0384
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0428P)^2^+4.8177P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0916
_refine_ls_wR_factor_ref         0.0980
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10198
_reflns_number_total             12476
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt00599k2.cif
_cod_data_source_block           12
_cod_depositor_comments
'Adding full bibliography for 7046049--7046053.cif.'
_cod_original_cell_volume        5626.7(15)
_cod_original_formula_sum        'C46 H55.50 Ag Cu2 F18 N13 O0.25 P3'
_cod_database_code               7046051
_shelx_shelxl_version_number     2014/7
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_shelx_estimated_absorpt_t_max   0.792
_shelx_res_checksum              56940