Information card for entry 4320618

Structure parameters

• Formula: C20 H42 Cu2 N20 O5 Re4 Te4
• Calculated formula: C20 H42 Cu2 N20 O5 Re4 Te4
• SMILES: C1C[NH2][Cu]2([NH2]1)([NH2]CC[NH2]2)[N]#C[Re]12345(C#N)([Re]6789(C#N)(C#N)(C#N)[Te]1[Re]1%1048(C#N)(C#N)(C#[N][Cu]48([NH2]CC[NH2]4)[NH2]CC[NH2]8)[Re]37([Te]26)(C#N)(C#N)(C#N)([Te]51)[Te]9%10)C#N.O.O.O.O.O
• Title of publication: [{Cu(en)2}2Re4Te4(CN)12].5H2O and [{Cu(en)2}2Re6Te8(CN)6].5H2O: Bonding of a Transition-Metal Complex to a Rhenium Chalcocyanide Cluster
• Authors of publication: Yuri V. Mironov; Vladimir E. Fedorov; Ismail Ijjaali; James A. Ibers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6320 - 6323
• a: 18.9077 ± 0.001 Å
• b: 15.4841 ± 0.0008 Å
• c: 14.4483 ± 0.0008 Å
• α: 90°
• β: 95.124 ± 0.001°
• γ: 90°
• Cell volume: 4213.1 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0227
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.0471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No