Information card for entry 7001013

Structure parameters

• Formula: C68 H82 Cl14 N4 O2 P4 Pb2 Pt2 S2
• Calculated formula: C68 H82 Cl14 N4 O2 P4 Pb2 Pt2 S2
• SMILES: [Pt]12([S]([Pt]3([S]2CCNC(=[O][Pb](Cl)(Cl)Cl)NCC)[P](CCC[P]3(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)CCNC(=[O][Pb](Cl)(Cl)Cl)NCC)[P](CCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.ClCCl.ClCCl.ClCCl
• Title of publication: Di-platinum complexes containing thiolato-urea ligands: structural and anion binding studies
• Authors of publication: Mendoza, Carolina; Benet-Buchholz, Jordi; Pericás, Miquel A.; Vilar, Ramón
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 16
• Pages of publication: 2974 - 2985
• a: 12.9783 ± 0.0011 Å
• b: 18.2889 ± 0.0014 Å
• c: 35.672 ± 0.003 Å
• α: 90°
• β: 98.512 ± 0.002°
• γ: 90°
• Cell volume: 8373.8 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No