Information card for entry 7204691

Structure parameters

• Formula: C16 H28 N11 O2 P3
• Calculated formula: C16 H28 N11 O2 P3
• SMILES: CN(N)P1(=NP2(=NP(=N1)(N(C)N)N(C)N)Oc1ccccc1c1ccccc1O2)N(C)N
• 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: 17.227 ± 0.003 Å
• b: 31.187 ± 0.006 Å
• c: 8.3154 ± 0.0017 Å
• α: 90°
• β: 90.91 ± 0.03°
• γ: 90°
• Cell volume: 4467 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No