Information card for entry 7059342

Structure parameters

• Formula: C30 H36 Cl2 N6 O Pt
• Calculated formula: C30 H36 Cl2 N6 O Pt
• SMILES: [Pt]12(=C(Nc3c(C)cccc3C)Nc3c([NH2]1)cccc3)[NH2]c1ccccc1NC=2Nc1c(C)cccc1C.[Cl-].[Cl-].O
• Title of publication: Water soluble palladium(ii) and platinum(ii) acyclic diaminocarbene complexes: solution behavior, DNA binding, and antiproliferative activity
• Authors of publication: Serebryanskaya, Tatiyana V.; Kinzhalov, Mikhail A.; Bakulev, Vladimir; Alekseev, Georgii; Andreeva, Anastasiya; Gushchin, Pavel V.; Protas, Aleksandra V.; Smirnov, Andrey S.; Panikorovskii, Taras L.; Lippmann, Petra; Ott, Ingo; Verbilo, Cyril M.; Zuraev, Alexander V.; Bunev, Alexander S.; Boyarskiy, Vadim P.; Kasyanenko, Nina A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 15
• Pages of publication: 5762 - 5773
• a: 12.179 ± 0.0006 Å
• b: 12.3643 ± 0.0003 Å
• c: 12.9592 ± 0.0004 Å
• α: 66.866 ± 0.003°
• β: 84.414 ± 0.003°
• γ: 75.822 ± 0.003°
• Cell volume: 1739.88 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1723
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No