Information card for entry 7203794

Structure parameters

• Formula: C3 H15 N6 P S
• Calculated formula: C3 H15 N6 P S
• SMILES: CN(P(=S)(N(C)N)N(C)N)N
• 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: 9.1213 ± 0.0006 Å
• b: 9.1213 ± 0.0006 Å
• c: 7.1103 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 512.31 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No