Information card for entry 4311396

Structure parameters

• Formula: C18 H68 N18 Ni2 O10 Re6 Te8
• Calculated formula: C18 H48 N18 Ni2 Re6 Te8
• SMILES: C(#N)[Re]1234567[Te]8[Re]9%10%11%12%131(C#N)[Re]1%14%15%16%17%18(C#N)[Re]%19%2029(C#N)([Re]2931(C#N)([Re]48%10%14(C#N)([Te]%11%15)([Te]72)[Te]%179)([Te]5%19)[Te]%18%20)([Te]%12%16)[Te]6%13.C1C[NH2][Ni]23([NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.C1C[NH2][Ni]23([NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3
• Title of publication: New Compounds from Tellurocyanide Rhenium Cluster Anions and 3d-Transition Metal Cations Coordinated with Ethylenediamine
• Authors of publication: Konstantin A. Brylev; Yuri V. Mironov; Nikolai G. Naumov; Vladimir E. Fedorov; James A. Ibers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4833 - 4838
• a: 20.668 ± 0.0015 Å
• b: 15.268 ± 0.0011 Å
• c: 18.4691 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5828.1 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No