Gold(I) chloride adducts of 1,3-bis(di-2-pyridylphosphino)propane: synthesis, structural studies and antitumour activity.
Humphreys, Anthony S.; Filipovska, Aleksandra; Berners-Price, Susan J; Koutsantonis, George A.; Skelton, Brian W.; White, Allan H.; Dalton transactions (Cambridge, England : 2003)  (2007) 4943–4950; doi:10.1039/b705008a

data_7005741
_publ_section_title
;
 Gold(I) chloride adducts of 1,3-bis(di-2-pyridylphosphino)propane:
 synthesis, structural studies and antitumour activity.
;
_journal_issue                   43
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4943
_journal_page_last               4950
_journal_paper_doi               10.1039/b705008a
_journal_year                    2007
_chemical_formula_moiety         'C23 H22 Au2 Cl2 N4 P2'
_chemical_formula_sum            'C23 H22 Au2 Cl2 N4 P2'
_chemical_formula_weight         881.22
_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_date             2007-03-11T17:13:57-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                95.62(4)
_cell_angle_beta                 103.85(3)
_cell_angle_gamma                92.06(3)
_cell_formula_units_Z            2
_cell_length_a                   9.189(6)
_cell_length_b                   11.499(7)
_cell_length_c                   12.259(8)
_cell_measurement_reflns_used    5563
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      21.2
_cell_measurement_theta_min      1.8
_cell_volume                     1249.3(14)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        'xtal ADDREF SORTRF'
_computing_molecular_graphics    xtal
_computing_publication_material  WinGX
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    xtal
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.838
_diffrn_measurement_device_type
;
Bruker SMART CCD diffractometer
;
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.5594
_diffrn_reflns_av_R_equivalents  .033
_diffrn_reflns_av_unetI/netI     0.0264
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            38163
_diffrn_reflns_theta_full        24.5
_diffrn_reflns_theta_max         27.36
_diffrn_reflns_theta_min         1.8
_exptl_absorpt_coefficient_mu    6.584
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  .85
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.343
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             820
_exptl_crystal_size_max          .07
_exptl_crystal_size_mid          .05
_exptl_crystal_size_min          .04
_refine_diff_density_max         13.572
_refine_diff_density_min         -4.78
_refine_diff_density_rms         0.403
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.198
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         9718
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.198
_refine_ls_R_factor_all          0.0551
_refine_ls_R_factor_gt           0.0525
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0336P)^2^+29.4588P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.134
_refine_ls_wR_factor_ref         0.1354
_reflns_number_gt                9123
_reflns_number_total             9718
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            b705008a.txt
_cod_data_source_block           gk140
_cod_original_sg_symbol_Hall     -p_1
_cod_original_sg_symbol_H-M      P_-1
_cod_database_code               7005741