Information card for entry 7013789

Structure parameters

• Formula: C7 H13 N3
• Calculated formula: C7 H13 N3
• Title of publication: Structural diversity in the coordination of amidines and guanidines to monovalent metal halides.
• Authors of publication: Oakley, Sarah H.; Soria, Delia B.; Coles, Martyn P.; Hitchcock, Peter B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 4
• Pages of publication: 537 - 546
• a: 8.5628 ± 0.0002 Å
• b: 14.8659 ± 0.0003 Å
• c: 11.6451 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1482.35 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.0548
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No