Information card for entry 8100679

Structure parameters

• Formula: C30 H29 Cl2 P Ru
• Calculated formula: C30 H29 Cl2 P Ru
• SMILES: [Ru]12345(Cl)(Cl)([P](C#Cc6ccccc6)(c6ccccc6)c6ccccc6)[cH]6[c]5([cH]4[cH]3[c]2([cH]16)C)C(C)C
• Title of publication: Crystal structure of two isomers of dichloro(η^6^-1-isopropyl- 4-methyl-1,3-cyclohexadiene)(diphenylphosphinophenylethyne)ruthenium (II), RuCl~2~(C~10~H~14~)[(C~6~H~5~)~2~CC(C~6~H~5~)]
• Authors of publication: de la Encarnacion, Esther; Pons, Josefina; Ros, Josep; Torres, M. Rosario
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 3
• Pages of publication: 375 - 378
• a: 9.8494 ± 0.0008 Å
• b: 12.3242 ± 0.0009 Å
• c: 12.5339 ± 0.001 Å
• α: 76.841 ± 0.001°
• β: 68.687 ± 0.001°
• γ: 72.137 ± 0.001°
• Cell volume: 1337.43 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No