Information card for entry 4324689

Structure parameters

• Formula: C16 H26 N9 P
• Calculated formula: C16 H26 N9 P
• SMILES: P1(=NC(=NC(=N1)N(C)C)N(C)C)(n1nc(C)cc1C)n1nc(cc1C)C
• Title of publication: Carbophosphazene-Supported Ligand Systems Containing Pyrazole/Guanidine Coordinating Groups
• Authors of publication: Vadapalli Chandrasekhar; Venkatasubbiah Krishnan; Ramachandran Azhakar; Tapas Senapati; Atanu Dey; R. Suriya Narayanan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 2568 - 2579
• a: 15.762 ± 0.004 Å
• b: 8.8893 ± 0.0016 Å
• c: 14.129 ± 0.003 Å
• α: 90°
• β: 90.822 ± 0.016°
• γ: 90°
• Cell volume: 1979.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No