Information card for entry 7203795

Structure parameters

• Formula: C3 H15 N6 O P
• Calculated formula: C3 H15 N6 O P
• SMILES: P(=O)(N(N)C)(N(N)C)N(N)C
• Title of publication: A tubular architecture in a phosphorus based trihydrazide, {P(S)[N(CH3)NH2]3}
• Authors of publication: Chandrasekhar, Vadapalli; Azhakar, Ramachandran
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 56
• Pages of publication: 346
• a: 13.226 ± 0.003 Å
• b: 9.956 ± 0.002 Å
• c: 13.349 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1757.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0378
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No