Dinuclear complexes of silver(i) and gold(i) with macrocyclic dicarbene ligands bearing a 2,6-lutidinyl bridge: synthesis, structural analysis and dynamic behaviour in solution
Biffis, Andrea; Cipani, Matteo; Tubaro, Cristina; Basato, Marino; Costante, Michele; Bressan, Edoardo; Venzo, Alfonso; Graiff, Claudia; New Journal of Chemistry 37 (2013) 4176–; doi:10.1039/c3nj01000g

data_7053245
_publ_section_title
;
 Dinuclear complexes of silver(i) and gold(i) with macrocyclic dicarbene
 ligands bearing a 2,6-lutidinyl bridge: synthesis, structural analysis
 and dynamic behaviour in solution
;
_journal_issue                   12
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              4176
_journal_paper_doi               10.1039/c3nj01000g
_journal_volume                  37
_journal_year                    2013
_chemical_formula_sum            'C50 H50 Au2 F12 N14 P2'
_chemical_formula_weight         1530.91
_chemical_name_systematic
;
 ?
;
_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
_cell_angle_alpha                72.9578(8)
_cell_angle_beta                 79.9609(9)
_cell_angle_gamma                69.2499(8)
_cell_formula_units_Z            1
_cell_length_a                   10.8843(6)
_cell_length_b                   11.3235(7)
_cell_length_c                   12.6353(7)
_cell_measurement_reflns_used    999
_cell_measurement_temperature    203(2)
_cell_measurement_theta_max      30
_cell_measurement_theta_min      2
_cell_volume                     1387.99(14)
_computing_cell_refinement       'APEX II (Bruker, 2008)'
_computing_data_collection       'APEX II (Bruker, 2008)'
_computing_data_reduction        'SAINT (Bruker, 2008)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      203(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'APEX II BRUKER'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0337
_diffrn_reflns_av_unetI/netI     0.0408
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            21572
_diffrn_reflns_theta_full        30.59
_diffrn_reflns_theta_max         30.59
_diffrn_reflns_theta_min         1.69
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.426
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.4348
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.832
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             744
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.469
_refine_diff_density_min         -1.181
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     363
_refine_ls_number_reflns         8443
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0374
_refine_ls_R_factor_gt           0.0310
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0464P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0782
_refine_ls_wR_factor_ref         0.0810
_reflns_number_gt                7464
_reflns_number_total             8443
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3nj01000g.txt
_cod_data_source_block           Au_compound
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7053245