Information card for entry 7206120

Structure parameters

• Common name: ((eta6-p-cymene)Ru(ii)Cl2(isonicotinic acid))
• Chemical name: [(eta6-p-cymene)Ru(II)Cl2(isonicotinic acid)]
• Formula: C16 H19 Cl2 N O2 Ru
• Calculated formula: C16 H19 Cl2 N O2 Ru
• Title of publication: Water vapour uptake and extrusion by a crystalline metallorganic solid based on half-sandwich Ru(ii) building-blocks
• Authors of publication: Bacchi, Alessia; Cantoni, Giulia; Chierotti, Michele R.; Girlando, Alberto; Gobetto, Roberto; Lapadula, Giuseppe; Pelagatti, Paolo; Sironi, Angelo; Zecchini, Matteo
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 13
• Pages of publication: 4365
• a: 14.7083 ± 0.001 Å
• b: 15.0887 ± 0.001 Å
• c: 7.72552 ± 0.00049 Å
• α: 90°
• β: 98.0506 ± 0.004°
• γ: 90°
• Cell volume: 1697.62 ± 0.19 ų
• Cell temperature: 373 K
• Ambient diffraction temperature: 373 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Goodness-of-fit parameter for all reflections: 2.34
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα11.54056CuKα21.54439
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No