The synthesis, spectroscopic characterization and anticancer activity of new mono and binuclear phosphanegold(i) dithiocarbamate complexes
Altaf, Muhammad; Monim-ul-Mehboob, M.; Isab, Anvarhusein A.; Dhuna, Vikram; Bhatia, Gaurav; Dhuna, Kshitija; Altuwaijri, Saleh; New J. Chem. 39 (2015) 377–; doi:10.1039/C4NJ00747F

data_7054497
_publ_section_title
;
 The synthesis, spectroscopic characterization and anticancer activity of
 new mono and binuclear phosphanegold(i) dithiocarbamate complexes
;
_journal_issue                   1
_journal_name_full               'New J. Chem.'
_journal_page_first              377
_journal_paper_doi               10.1039/C4NJ00747F
_journal_volume                  39
_journal_year                    2015
_chemical_formula_moiety         'C27 H41 Au N P S2'
_chemical_formula_sum            'C27 H41 Au N P S2'
_chemical_formula_weight         671.66
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      orthorhombic
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_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
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_cell_angle_beta                 90
_cell_angle_gamma                90
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_cell_length_b                   19.6569(19)
_cell_length_c                   22.945(2)
_cell_measurement_reflns_used    17654
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.24
_cell_measurement_theta_min      1.78
_cell_volume                     5554.7(9)
_computing_cell_refinement       'X-Area (Stoe & Cie, 2009)'
_computing_data_collection       'X-Area (Stoe & Cie, 2009)'
_computing_data_reduction        'X-RED32 (Stoe & Cie, 2009)'
_computing_molecular_graphics
'PLATON  (Spek, 2009) and Mercury (Macrae et al., 2008)'
_computing_publication_material
;
SHELXL-2013 (Sheldrick, 2008) and PLATON (Spek, 2009)'
;
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2008)'
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_diffrn_ambient_temperature      173(2)
_diffrn_detector                 'image plate (34 cm diameter)'
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_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       '\f + \w scans'
_diffrn_radiation_monochromator  'plane graphite'
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_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0959
_diffrn_reflns_av_unetI/netI     0.0669
_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
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_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            33559
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.850
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_diffrn_source
'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
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_exptl_absorpt_correction_T_min  0.281
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(MULscanABS in PLATON; Spek, 2009)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.606
_exptl_crystal_description       plate
_exptl_crystal_F_000             2688
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.080
_refine_diff_density_min         -0.787
_refine_diff_density_rms         0.111
_refine_ls_extinction_coef       0.00017(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         5296
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.793
_refine_ls_R_factor_all          0.0541
_refine_ls_R_factor_gt           0.0277
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0292P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0587
_refine_ls_wR_factor_ref         0.0623
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3454
_reflns_number_total             5296
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           Compd.
_cod_depositor_comments          'Adding full bibliography for 7054497.cif.'
_cod_database_code               7054497
_shelxl_version_number           2013-3
_shelx_res_checksum              41614