Information card for entry 4332496

Structure parameters

• Formula: C7 H13 N3 O3
• Calculated formula: C7 H13 N3 O3
• SMILES: [O-]C(=O)O.N1C2=[NH+]CCCN2CC1
• Title of publication: Homologues of the Easily Ionized Compound Mo2(hpp)4Containing Smaller Bicyclic Guanidinates
• Authors of publication: Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 5493 - 5500
• a: 7.24 ± 0.002 Å
• b: 8.252 ± 0.003 Å
• c: 8.35 ± 0.003 Å
• α: 110.375 ± 0.005°
• β: 106.701 ± 0.005°
• γ: 96.033 ± 0.005°
• Cell volume: 436.1 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No