The coordination chemistry of fluorescent pyridinyl– and quinolinyl–phthalimide ligands with the {AuI–PPh3} cationic unit
Mullice, Lucy A.; Thorp-Greenwood, Flora L.; Laye, Rebecca H.; Coogan, Michael P.; Kariuki, Benson M.; Pope, Simon J.A.; Dalton Transactions  (2009) 6836–6842; doi:10.1039/b905123f

data_7001917
_publ_section_title
;
 The coordination chemistry of fluorescent pyridinyl-- and
 quinolinyl--phthalimide ligands with the {AuI--PPh3} cationic unit
;
_journal_issue                   34
_journal_name_full               'Dalton Transactions'
_journal_page_first              6836
_journal_page_last               6842
_journal_paper_doi               10.1039/b905123f
_journal_year                    2009
_chemical_formula_sum            'C33 H24 Au Cl3 F3 N2 O5 P S'
_chemical_formula_weight         951.89
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 97.781(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.6586(10)
_cell_length_b                   11.2141(6)
_cell_length_c                   17.6983(10)
_cell_measurement_reflns_used    9934
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.32
_cell_volume                     3472.4(3)
_computing_cell_refinement       'Bruker Kappa Apex2(v2.1)'
_computing_data_collection       'Bruker Kappa Apex2(v2.1)'
_computing_data_reduction        'Bruker Kappa Apex2(v2.1)'
_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      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0293
_diffrn_reflns_av_sigmaI/netI    0.0233
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            42366
_diffrn_reflns_theta_full        27.59
_diffrn_reflns_theta_max         27.59
_diffrn_reflns_theta_min         1.16
_exptl_absorpt_coefficient_mu    4.634
_exptl_absorpt_correction_T_max  0.8014
_exptl_absorpt_correction_T_min  0.3676
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.821
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1856
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.048
_refine_diff_density_min         -0.733
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         8025
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0328
_refine_ls_R_factor_gt           0.0212
_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^)+(0.0159P)^2^+4.5326P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0433
_refine_ls_wR_factor_ref         0.0478
_reflns_number_gt                6710
_reflns_number_total             8025
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b905123f.txt
_cod_data_source_block           irl42
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7001917