Photosensitive azobispyridine gold(i) and silver(i) complexes
Bardají, Manuel; Barrio, Mónica; Espinet, Pablo; Dalton Transactions 40 (2011) 2570–; doi:10.1039/c0dt01167c

data_7014796
_publ_section_title
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 Photosensitive azobispyridine gold(i) and silver(i) complexes
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_journal_issue                   11
_journal_name_full               'Dalton Transactions'
_journal_page_first              2570
_journal_paper_doi               10.1039/c0dt01167c
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C18 H26 Au2 F6 N4 O6 P2 S2'
_chemical_formula_weight         1028.42
_chemical_name_systematic
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?
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 103.326(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   25.1997(11)
_cell_length_b                   8.7245(4)
_cell_length_c                   7.2138(3)
_cell_measurement_reflns_used    1836
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.4132
_cell_measurement_theta_min      2.8986
_cell_volume                     1543.28(12)
_computing_cell_refinement
;
'Tue Jan 26 11:16:18 2010'
;
_computing_data_collection
;
'Tue Jan 26 11:16:18 2010'
;
_computing_data_reduction
;
'Tue Jan 26 11:16:18 2010'
;
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.4757
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.833
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       '\w scans'
_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  0.0463
_diffrn_reflns_av_sigmaI/netI    0.0641
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            3116
_diffrn_reflns_theta_full        26.32
_diffrn_reflns_theta_max         29.47
_diffrn_reflns_theta_min         2.90
_exptl_absorpt_coefficient_mu    9.809
_exptl_absorpt_correction_T_max  0.977
_exptl_absorpt_correction_T_min  0.870
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
'Tue Jan 26 11:16:18 2010'
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.213
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             968
_exptl_crystal_size_max          0.4068
_exptl_crystal_size_mid          0.1248
_exptl_crystal_size_min          0.0379
_refine_diff_density_max         1.907
_refine_diff_density_min         -2.009
_refine_diff_density_rms         0.228
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.987
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     110
_refine_ls_number_reflns         1892
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.987
_refine_ls_R_factor_all          0.0696
_refine_ls_R_factor_gt           0.0543
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0893P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1305
_refine_ls_wR_factor_ref         0.1379
_reflns_number_gt                1469
_reflns_number_total             1892
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0DT01167C.TXT
_cod_data_source_block           abpypac
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               7014796