Tetranuclear Macrocyclic Gold(I) Alkynyl Phosphine Complex Containing Azobenzene Functionalities: A Dual-Input Molecular Logic with Photoswitching Behavior Controllable via Silver(I) Coordination/Decoordination
Tang, Hau-San; Zhu, Nianyong; Yam, Vivian Wing-Wah; Organometallics 26 (2007) 22–; doi:10.1021/om0609719

data_4072719
_publ_section_title
;
 Tetranuclear Macrocyclic Gold(I) Alkynyl Phosphine Complex Containing
 Azobenzene Functionalities: A Dual-Input Molecular Logic with
 Photoswitching Behavior Controllable via Silver(I)
 Coordination/Decoordination
;
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              22
_journal_paper_doi               10.1021/om0609719
_journal_volume                  26
_journal_year                    2007
_chemical_formula_moiety         'C96 H103 Au4 Cl4 N4 O5.50 P4'
_chemical_formula_sum            'C96 H103 Au4 Cl4 N4 O5.5 P4'
_chemical_formula_weight         2454.37
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 121.94(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   36.738(7)
_cell_length_b                   24.734(5)
_cell_length_c                   27.013(5)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    253(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     20830(10)
_computing_cell_refinement       Scalepack
_computing_data_collection       Marcontrol
_computing_data_reduction        Denzo
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR-97
_diffrn_ambient_temperature      253(2)
_diffrn_measured_fraction_theta_full 0.615
_diffrn_measured_fraction_theta_max 0.615
_diffrn_measurement_device_type  'marresearch IPDS mar300'
_diffrn_measurement_method       Oscillation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0888
_diffrn_reflns_av_sigmaI/netI    0.1530
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            39229
_diffrn_reflns_theta_full        25.20
_diffrn_reflns_theta_max         25.20
_diffrn_reflns_theta_min         1.05
_exptl_absorpt_coefficient_mu    5.829
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.565
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             9560
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.983
_refine_diff_density_min         -1.111
_refine_diff_density_rms         0.389
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.949
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     489
_refine_ls_number_reflns         11552
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      0.954
_refine_ls_R_factor_all          0.1235
_refine_ls_R_factor_gt           0.0632
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1075P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1737
_refine_ls_wR_factor_ref         0.2042
_reflns_number_gt                6123
_reflns_number_total             11552
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0609719si20061110_125753.cif
_cod_data_source_block           mar937
_cod_original_cell_volume        20830(7)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C96 H103 Au4 Cl4 N4 O5.50 P4'
_cod_database_code               4072719