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_7701051
_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_compound_source        'see text'
_chemical_formula_moiety         '2(C20 H22 Ag2 N8 O4)'
_chemical_formula_sum            'C40 H44 Ag4 N16 O8'
_chemical_formula_weight         1308.39
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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                107.761(2)
_cell_angle_beta                 99.703(2)
_cell_angle_gamma                113.659(2)
_cell_formula_units_Z            1
_cell_length_a                   11.3434(5)
_cell_length_b                   12.6516(5)
_cell_length_c                   12.7157(6)
_cell_measurement_reflns_used    9826
_cell_measurement_temperature    100
_cell_measurement_theta_max      28.3237
_cell_measurement_theta_min      2.6475
_cell_volume                     1500.65(12)
_computing_cell_refinement       'SAINT (Bruker, 2014)'
_computing_data_collection       'APEX III Control Software (Bruker, 2015)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_molecular_graphics    'PLATON (Spek, 2011)'
_computing_publication_material  'PLATON (Spek, 2011), enCIFer (Allen, 2014)'
_computing_structure_refinement
'SHELXL2014 (Sheldrick, 2014), SHELXLE (Huebschle, 2011)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100
_diffrn_detector                 ' CMOS plate '
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       ' \k-geometry diffractometer '
_diffrn_measurement_device_type  ' Bruker Photon CMOS '
_diffrn_measurement_method       ' phi- and omega-rotation '
_diffrn_radiation_monochromator  'Helios optic'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'IMS microsource'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0554
_diffrn_reflns_av_unetI/netI     0.0187
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            107428
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         2.24
_exptl_absorpt_coefficient_mu    1.339
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.7165
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2016/2, Bruker, 2016'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.448
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             648
_exptl_crystal_size_max          0.146
_exptl_crystal_size_mid          0.133
_exptl_crystal_size_min          0.082
_platon_squeeze_details
;
The unit cell contains a network of 16 partly disordered molecules of water
which were treated as a diffuse contribution to the overall scattering 
without specific atom positions by SQUEEZE/PLATON.
;
_refine_diff_density_max         0.431
_refine_diff_density_min         -0.555
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     311
_refine_ls_number_reflns         6857
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0293
_refine_ls_R_factor_gt           0.0226
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'W=1/[\S^2^(FO^2^)+(0.0164P)^2^+1.8533P] WHERE P=(FO^2^+2FC^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0459
_refine_ls_wR_factor_ref         0.0477
_reflns_number_gt                6017
_reflns_number_total             6857
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            c9dt03035b2.cif
_cod_data_source_block           Ag2(La2)2
_cod_depositor_comments
'Adding full bibliography for 7701048--7701051.cif.'
_cod_database_code               7701051
_platon_squeeze_void_probe_radius 1.20
_shelx_res_checksum              60944
_shelx_fab_checksum              96307