Information card for entry 7218497

Structure parameters

• Formula: C86 H124 N6 O18 P6 Sn4
• Calculated formula: C86 H124 N6 O18 P6 Sn4
• SMILES: c12c(c3ccccc3OP3(=NP(=NP4(=N3)Oc3ccccc3c3ccccc3O4)(OC)O[Sn]3([O]4[Sn]([O]5[Sn](OP6(=NP7(=NP8([N]6)Oc6ccccc6c6ccccc6O8)Oc6c(c8c(cccc8)O7)cccc6)OC)([O](C)[Sn]45(CCCC)CCCC)(CCCC)CCCC)([O]3C)(CCCC)CCCC)(CCCC)CCCC)O1)cccc2.OC.OC
• Title of publication: Cyclophosphazene-Organostannoxane Hybrid Motifs in Polymeric and Molecular Systems
• Authors of publication: Chandrasekhar, Vadapalli; Kundu, Subrata; Mohapatra, Chandrajeet
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 18.805 ± 0.005 Å
• b: 12.506 ± 0.005 Å
• c: 21.511 ± 0.005 Å
• α: 90 ± 0.005°
• β: 110.835 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 4728 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1185
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.1789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No