Information card for entry 2007925

Structure parameters

• Formula: C10 H19 Co N4 O4
• Calculated formula: C10 H19 Co N4 O4
• SMILES: [Co-](C#[O])(C#[O])(C#[O])C#[O].N(CC[NH3+])(CCN)CCN
• Title of publication: N—H···N, N-H···O and N-H···π~CO~ Hydrogen Bonding in [<i>N</i>,<i>N</i>-Bis(2-aminoethyl)-2-aminoethyl]ammonium Tetracarbonylcobaltate(1-)
• Authors of publication: Mareque Rivas, Juan C.; Brammer, Lee
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1799 - 1802
• a: 13.4327 ± 0.0002 Å
• b: 13.1953 ± 0.0006 Å
• c: 16.7801 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2974.25 ± 0.18 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.05
• Goodness-of-fit parameter for all reflections: 1.44
• Goodness-of-fit parameter for significantly intense reflections: 1.576
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No