Information card for entry 4061473

Structure parameters

• Formula: C38 H64 F12 Ni O2 P2 Ru2 S6
• Calculated formula: C38 H64 F12 Ni O2 P2 Ru2 S6
• SMILES: [c]12([c]3([c]4([c]5([c]6([c]1(C)[Ru]1723456[S]2CC[S]7CC[S]1[Ni]12[S]2CC[S]3CC[S]1[Ru]1456723[c]2([c]1([c]4([c]5([c]6([c]72C)C)C)C)C)C)C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-].O=C(C)C.[P](F)(F)(F)(F)(F)[F-].O=C(C)C
• Title of publication: Square Planar versus Tetrahedral NiS~4~ Cores in the Coordination Spheres of (HMB)Ru(II) and Cp*Ru(III) and a related CuS~4~ Complex. Synthetic, Single Crystal X-ray Diffraction and Magnetic Studies {HMB = η^6^-C~6~Me~6~ and Cp* = η^5^-C~5~Me~5~}
• Authors of publication: Shin, Richard Y. C.; Teo, Ming Ern; Tan, Geok Kheng; Koh, Lip Lin; Vittal, Jagadese J.; Goh, Lai Yoong; Murray, Keith S.; Moubaraki, Boujemaa; Zhou, X.-Y.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 17
• Pages of publication: 4265 - 4273
• a: 10.1593 ± 0.0018 Å
• b: 10.5154 ± 0.0019 Å
• c: 12.654 ± 0.002 Å
• α: 81.386 ± 0.004°
• β: 70.138 ± 0.004°
• γ: 76.824 ± 0.004°
• Cell volume: 1234.1 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 8
• 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