Information card for entry 2230917

Structure parameters

• Common name: niobium(V)-Tri-mu-oxo-tetraphenylporphyrinate
• Chemical name: Tri-μ-oxido-bis[(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)niobium(V)]
• Formula: C88 H56 N8 Nb2 O3
• Calculated formula: C88 H56 N8 Nb2 O3
• SMILES: [Nb]12456(O[Nb]789(O1)(O2)[n]1c2=C(c3n9c(C(=c9[n]8c(C(=c8n7c(=C(c1cc2)c1ccccc1)cc8)c1ccccc1)cc9)c1ccccc1)cc3)c1ccccc1)n1c2=C(c3[n]6c(=C(c6n5c(C(=c5[n]4c(C(=c1cc2)c1ccccc1)cc5)c1ccccc1)cc6)c1ccccc1)cc3)c1ccccc1
• Title of publication: Tri-μ-oxido-bis[(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)niobium(V)]
• Authors of publication: Soury, Raoudha; Belkhiria, Mohamed Salah; Daran, Jean-Claude; Nasri, Habib
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m862 - m863
• a: 14.4823 ± 0.0009 Å
• b: 18.4007 ± 0.0008 Å
• c: 14.6257 ± 0.001 Å
• α: 90°
• β: 117.823 ± 0.007°
• γ: 90°
• Cell volume: 3446.9 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes