Information card for entry 2236671

Structure parameters

• Chemical name: (μ~1~-Methanolato-κ^1^<i>O</i>)-μ~1~-methoxo-κ^1^-<i>O</i>(μ~2~-2-amino-1- methyl-5<i>H</i>-imidazol-4-one-κ^2^<i>N</i>:<i>N</i>')- hexacarbonyldirhenium(I)
• Formula: C12 H12 N3 O9 Re2
• Calculated formula: C12 H12 N3 O9 Re2
• SMILES: [Re]12(C#[O])(C#[O])([O]([Re](C#[O])(C#[O])(C#[O])([O]1C)N1C(=[NH]2)N(C)CC1=O)C)C#[O]
• Title of publication: (μ~1~-Methanolato-κ^1^<i>O</i>)-μ~1~-methoxo-κ^1^<i>O</i>-(μ~2~-2-amino-1-methyl-5<i>H</i>-imidazol-4-one-κ^2^<i>N</i>:<i>N</i>')-hexacarbonyldirhenium(I)
• Authors of publication: Schutte, M.; Visser, H. G.; Roodt, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m1359 - m1360
• a: 24.066 ± 0.002 Å
• b: 10.0715 ± 0.0008 Å
• c: 14.5969 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3538 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes