Dinuclear zwitterionic silver(i) and gold(i) complexes bearing 2,2-acetate-bridged bisimidazolylidene ligands.
Dominelli, Bruno; Roberts, Gerri M.; Jandl, Christian; Fischer, Pauline J.; Reich, Robert M.; Pöthig, Alexander; Correia, João D G; Kühn, Fritz E; Dalton transactions (Cambridge, England : 2003) 48 (2019) 14036–14043; doi:10.1039/c9dt03035b

data_7701048
_publ_section_title
;
 Dinuclear zwitterionic silver(i) and gold(i) complexes bearing
 2,2-acetate-bridged bisimidazolylidene ligands.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14036
_journal_page_last               14043
_journal_paper_doi               10.1039/c9dt03035b
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C10 H13 N4 O2, F6 P, 3(H2 O)'
_chemical_formula_sum            'C10 H19 F6 N4 O5 P'
_chemical_formula_weight         420.26
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2019-07-24 deposited with the CCDC.    2019-08-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.120(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.4241(3)
_cell_length_b                   6.2939(2)
_cell_length_c                   23.5348(7)
_cell_measurement_reflns_used    7417
_cell_measurement_temperature    123
_cell_measurement_theta_max      25.2275
_cell_measurement_theta_min      3.0504
_cell_volume                     1687.83(9)
_computing_cell_refinement       'SAINT (Bruker, 2012)'
_computing_data_collection       'APEX II Control Software (Bruker, 2013)'
_computing_data_reduction        'SAINT (Bruker, 2012)'
_computing_molecular_graphics    'PLATON (Spek, 2011)'
_computing_publication_material  'PLATON (Spek, 2011), enCIFer (Allen, 2004)'
_computing_structure_refinement
'SHELXL2013 (Sheldrick, 2013), SHELXLE (Huebschle, 2011)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      123
_diffrn_detector                 ' CCD plate '
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       ' \k-geometry diffractometer '
_diffrn_measurement_device_type  ' Bruker APEX-II CCD '
_diffrn_measurement_method       ' phi- and omega-rotation '
_diffrn_radiation_monochromator  'MONTEL optic'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'rotating anode FR591'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0518
_diffrn_reflns_av_sigmaI/netI    0.0264
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            31974
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         1.93
_exptl_absorpt_coefficient_mu    0.258
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6937
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker, 2012'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.654
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             864
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.081
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.286
_refine_diff_density_min         -0.312
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     261
_refine_ls_number_reflns         3103
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0470
_refine_ls_R_factor_gt           0.0330
_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^)+(0.0252P)^2^+1.4507P] WHERE P=(FO^2^+2FC^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0682
_refine_ls_wR_factor_ref         0.0737
_reflns_number_gt                2521
_reflns_number_total             3103
_reflns_threshold_expression     i>2\s(i)
_cod_data_source_file            c9dt03035b2.cif
_cod_data_source_block           La-H2-PF6
_cod_depositor_comments
'Adding full bibliography for 7701048--7701051.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7701048