Information card for entry 4337471

Structure parameters

• 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: Probing hydrogen bond networks in half-sandwich Ru(II) building blocks by a combined 1H DQ CRAMPS solid-state NMR, XRPD, and DFT approach.
• Authors of publication: Chierotti, Michele R.; Gobetto, Roberto; Nervi, Carlo; Bacchi, Alessia; Pelagatti, Paolo; Colombo, Valentina; Sironi, Angelo
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 139 - 146
• a: 30.9156 ± 0.0019 Å
• b: 15.34138 ± 0.00087 Å
• c: 7.36774 ± 0.0004 Å
• α: 90°
• β: 95.2747 ± 0.0043°
• γ: 90°
• Cell volume: 3479.6 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• 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