Information card for entry 4311397

Structure parameters

• Formula: C10 H44 N18 Ni2 O2 Re6 Te8
• Calculated formula: C10 H44 N18 Ni2 O2 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%20%21%222(C#N)([Re]3891(C#N)([Te]%11%15)([Te]6%21)[Te]%18%22)[Re]4%10%14(C#N)([Te]5%19)([Te]%16%20)([Te]%12%17)[Te]7%13.O.C1[NH2][Ni]([NH3])([NH3])([NH3])([NH2]C1)[NH3].O.C1C[NH2][Ni]([NH2]1)([NH3])([NH3])([NH3])[NH3]
• 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: 10.3607 ± 0.0007 Å
• b: 10.6377 ± 0.0007 Å
• c: 21.2875 ± 0.0014 Å
• α: 90°
• β: 97.17 ± 0.001°
• γ: 90°
• Cell volume: 2327.8 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.235
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No