Information card for entry 7010135

Structure parameters

• Formula: C12 H19 Cl N2 Pt
• Calculated formula: C12 H19 Cl N2 Pt
• SMILES: [Pt]12(Cl)[N](C)(C)Cc3c2c(ccc3)C[N]1(C)C
• Title of publication: Self-assembled organoplatinum(II) supermolecules as crystalline, SO2 gas-triggered switches †
• Authors of publication: Albrecht, Martin; Lutz, Martin; Schreurs, Antoine M. M.; Lutz, Egbert T. H.; Spek, Anthony L.; van Koten, Gerard
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 21
• Pages of publication: 3797
• a: 12.9877 ± 0.0014 Å
• b: 9.2177 ± 0.0006 Å
• c: 11.6041 ± 0.0012 Å
• α: 90°
• β: 111.104 ± 0.008°
• γ: 90°
• Cell volume: 1296 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0294
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No