Information card for entry 7022818

Structure parameters

• Common name: spiro(tetrakis-3-pyridyloxy)cyclotriphosphazene
• Formula: C32 H24 N7 O6 P3
• Calculated formula: C32 H24 N7 O6 P3
• SMILES: P12(=NP(=NP(=N1)(Oc1cnccc1)Oc1cnccc1)(Oc1cccnc1)Oc1cnccc1)Oc1ccccc1c1ccccc1O2
• Title of publication: Metalation studies of 3- and 4-pyridyloxycyclophosphazenes: metallamacrocycles to coordination polymers.
• Authors of publication: Chandrasekhar, Vadapalli; Narayanan, Ramakirushnan Suriya
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 18
• Pages of publication: 6619 - 6632
• a: 11.6031 ± 0.0015 Å
• b: 14.6279 ± 0.0019 Å
• c: 19.142 ± 0.003 Å
• α: 76.683 ± 0.002°
• β: 82.873 ± 0.002°
• γ: 88.34 ± 0.002°
• Cell volume: 3137.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0966
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No