N,N-Dialkylbenzimidazol-2-ylidene platinum complexes - effects of alkyl residues and ancillary cis-ligands on anticancer activity.
Rehm, Tobias; Rothemund, Matthias; Bär, Alexander; Dietel, Thomas; Kempe, Rhett; Kostrhunova, Hana; Brabec, Viktor; Kasparkova, Jana; Schobert, Rainer; Dalton transactions (Cambridge, England : 2003) 47 (2018) 17367–17381; doi:10.1039/c8dt03360a

data_7048150
_publ_section_title
;
 N,N-Dialkylbenzimidazol-2-ylidene platinum complexes - effects of alkyl
 residues and ancillary cis-ligands on anticancer activity.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17367
_journal_page_last               17381
_journal_paper_doi               10.1039/c8dt03360a
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C13 H20 Cl2 N2 O Pt S'
_chemical_formula_sum            'C13 H20 Cl2 N2 O Pt S'
_chemical_formula_weight         518.36
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/4
_audit_update_record
;
2018-07-23 deposited with the CCDC.
2018-11-13 downloaded from the CCDC.
;
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_cell_angle_gamma                94.722(5)
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_computing_structure_refinement  'SHELXL-2016/4 (Sheldrick, 2016)'
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_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 0.980
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_diffrn_reflns_av_R_equivalents  0.0420
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_diffrn_reflns_Laue_measured_fraction_full 0.980
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_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'STOE XRED-32'
_exptl_crystal_colour            colourless
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_exptl_crystal_description       needles
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_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0449
_refine_ls_R_factor_gt           0.0329
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0485P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0758
_refine_ls_wR_factor_ref         0.0851
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2704
_reflns_number_total             3177
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt03360a2.cif
_cod_data_source_block           shelx_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7048149--7048151.cif.'
_cod_database_code               7048150
_publcif_datablock.id            {e1e3c192-4d3f-4d40-ba70-0a5b636206d7}
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