Information card for entry 4324692

Structure parameters

• Formula: C12 H24 Cl2 N9 P
• Calculated formula: C12 H24 Cl2 N9 P
• SMILES: P1(N=C(N(C)C)N(C)C)(N=C(N(C)C)N(C)C)=NC(Cl)=NC(=N1)Cl
• 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: 10.549 ± 0.005 Å
• b: 13.494 ± 0.005 Å
• c: 13.764 ± 0.005 Å
• α: 90 ± 0.005°
• β: 105.902 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1884.3 ± 1.3 ų
• Cell temperature: 293 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.2037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No