Information card for entry 2241809

Structure parameters

• Common name: Tricarbonylchlorido{1-[(pyridin-2-ylmethylidene)amino]adamantane}rhenium(I)
• Chemical name: Tricarbonylchlorido{1-[(pyridin-2-ylmethylidene)amino]tricyclo[3.3.1.1^3,7^]\ decane}rhenium(I)
• Formula: C19 H20 Cl N2 O3 Re
• Calculated formula: C19 H20 Cl N2 O3 Re
• SMILES: [Re]1(Cl)([N](C23CC4CC(C2)CC(C4)C3)=Cc2[n]1cccc2)(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis and crystal structure of tricarbonylchlorido{1-[(pyridin-2-ylmethylidene)amino]adamantane}rhenium(I)
• Authors of publication: Jimenez, Jorge; Chakraborty, Indranil; Mascharak, Pradip
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 9
• Pages of publication: 1276 - 1279
• a: 6.955 ± 0.0006 Å
• b: 21.7483 ± 0.0019 Å
• c: 12.4482 ± 0.0011 Å
• α: 90°
• β: 94.509 ± 0.001°
• γ: 90°
• Cell volume: 1877.1 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.031
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.0501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes