Synthesis, structures and stability of amido gold(iii) complexes with 2,2':6',2''-terpyridine.
Iwashita, Satoshi; Saito, Yoshiaki; Ohtsu, Hideki; Tsuge, Kiyoshi; Dalton transactions (Cambridge, England : 2003) 43 (2014) 15719–15722; doi:10.1039/c4dt02279c

data_7032265
_publ_section_title
;
 Synthesis, structures and stability of amido gold(iii) complexes with
 2,2':6',2''-terpyridine.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15719
_journal_page_last               15722
_journal_paper_doi               10.1039/c4dt02279c
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C21 H17.50 Au Cl2 N7.50 O8'
_chemical_formula_sum            'C21 H17.5 Au Cl2 N7.5 O8'
_chemical_formula_weight         770.79
_chemical_name_common            Autrpy-NHpym
_space_group_IT_number           2
_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     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                103.9027(13)
_cell_angle_beta                 93.7274(14)
_cell_angle_gamma                90.9481(14)
_cell_formula_units_Z            2
_cell_length_a                   8.13140(18)
_cell_length_b                   11.2285(3)
_cell_length_c                   13.7736(3)
_cell_measurement_reflns_used    10331
_cell_measurement_temperature    173
_cell_measurement_theta_max      68.26
_cell_measurement_theta_min      3.31
_cell_volume                     1217.48(5)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.0991
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            14071
_diffrn_reflns_theta_full        68.24
_diffrn_reflns_theta_max         68.23
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    13.776
_exptl_absorpt_correction_T_max  0.252
_exptl_absorpt_correction_T_min  0.180
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            platelet
_exptl_crystal_density_diffrn    2.102
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       red
_exptl_crystal_F_000             746.00
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: '
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.740
_refine_diff_density_min         -3.030
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     345
_refine_ls_number_reflns         4376
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0623
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0614P)^2^+6.5451P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1635
_reflns_number_gt                3221
_reflns_number_total             4376
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c4dt02279c2.cif
_cod_data_source_block           Au-trpy-ampym3
_cod_depositor_comments
'Adding full bibliography for 7032263--7032265.cif.'
_cod_original_cell_volume        1217.47(5)
_cod_original_formula_sum        'C21 H17.50 Au Cl2 N7.50 O8'
_cod_database_code               7032265