Information card for entry 1503510

Structure parameters

• Chemical name: [5,15-Diazido-10,20-diphenylporphyrinato]nickel(II)
• Formula: C32 H18 N10 Ni
• Calculated formula: C32 H18 N10 Ni
• SMILES: [Ni]123n4c5=C(c6[n]3c(=C(N=N#N)c3n2c(C(=c2[n]1c(C(=c4cc5)N=N#N)cc2)c1ccccc1)cc3)cc6)c1ccccc1
• Title of publication: Catalyst-free aromatic nucleophilic substitution of meso-bromoporphyrins with azide anion: efficient synthesis and structural analyses of meso-azidoporphyrins.
• Authors of publication: Yamashita, Ken-ichi; Kataoka, Kazuyuki; Asano, Motoko S.; Sugiura, Ken-ichi
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 190 - 193
• a: 19.929 ± 0.004 Å
• b: 17.419 ± 0.003 Å
• c: 7.3381 ± 0.0014 Å
• α: 90°
• β: 93.911 ± 0.004°
• γ: 90°
• Cell volume: 2541.4 ± 0.8 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 4
• 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: 0.0963
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 0.825
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No