Structural diversities in Ag(i) complexes of xylyl platform based isomeric bis-NHC ligands: effects of pyridine wingtip substituents
Jana, Barun; Ghosh, Pradyut; New J. Chem. 41 (2017) 2131–; doi:10.1039/C6NJ03609K

data_7056004
_publ_section_title
;
 Structural diversities in Ag(i) complexes of xylyl platform based
 isomeric bis-NHC ligands: effects of pyridine wingtip substituents
;
_journal_issue                   5
_journal_name_full               'New J. Chem.'
_journal_page_first              2131
_journal_paper_doi               10.1039/C6NJ03609K
_journal_volume                  41
_journal_year                    2017
_chemical_formula_sum            'C52 H46 Ag2 F12 N14 P2'
_chemical_formula_weight         1372.71
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2017-01-16 deposited with the CCDC.
2017-01-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.367(3)
_cell_angle_gamma                90
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_computing_cell_refinement       'Bruker SAINT'
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_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.993
_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  0.1192
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_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_h_min       -17
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_diffrn_reflns_limit_l_max       20
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_diffrn_reflns_number            60172
_diffrn_reflns_point_group_measured_fraction_full 1.000
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_exptl_absorpt_coefficient_mu    0.877
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
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_exptl_crystal_description       block
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_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0297P)^2^+10.6839P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_total             12101
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6nj03609k2.cif
_cod_data_source_block           complex2
_cod_depositor_comments
'Adding full bibliography for 7056000--7056005.cif.'
_cod_database_code               7056004
_shelx_estimated_absorpt_t_min   0.917
_shelx_estimated_absorpt_t_max   0.974
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