Information card for entry 7204690

Structure parameters

• Formula: C6 H30 N15 P3
• Calculated formula: C6 H30 N15 P3
• SMILES: P1(=NP(=NP(=N1)(N(N)C)N(N)C)(N(N)C)N(N)C)(N(N)C)N(N)C
• Title of publication: Cyclophosphazene supramolecular assemblies: N?H?N and C?H?N mediated supramolecular networks in the crystal structures of N3P3[N(Me)NH2]6 and spiro-N3P3[O2C12H8][N(Me)NH2]4
• Authors of publication: Chandrasekhar, Vadapalli; Krishnan, Venkatasubbaiah; Thangavelu Senthil Andavan, Gurusamy; Steiner, Alexander; Zacchini, Stefano
• Journal of publication: CrystEngComm
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 42
• Pages of publication: 245
• a: 8.6181 ± 0.0016 Å
• b: 15.486 ± 0.003 Å
• c: 13.996 ± 0.003 Å
• α: 90°
• β: 93.97 ± 0.003°
• γ: 90°
• Cell volume: 1863.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No