Information card for entry 2017186

Structure parameters

• Chemical name: azido[2-(diphenylphosphino)benzaldehyde semicarbazonato-κ^2^<i>P</i>,<i>N</i>^1^,<i>O</i>]nickel(II)
• Formula: C20 H17 N6 Ni O P
• Calculated formula: C20 H17 N6 Ni O P
• SMILES: [Ni]12([P](c3c(C=[N]1N=C(N)O2)cccc3)(c1ccccc1)c1ccccc1)N=N#N
• Title of publication: Different intermolecular interactions in azido[2-(diphenylphosphino)benzaldehyde semicarbazonato-κ^2^<i>P</i>,<i>N</i>^1^,<i>O</i>]nickel(II)
• Authors of publication: Novaković, Sladjana B.; Bogdanović, Goran A.; Brčeski, Ilija D.; Leovac, Vukadin M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m263 - m265
• a: 8.87 ± 0.0015 Å
• b: 10.004 ± 0.003 Å
• c: 12.87 ± 0.002 Å
• α: 69.993 ± 0.019°
• β: 70.598 ± 0.014°
• γ: 67.556 ± 0.019°
• Cell volume: 964.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.1691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes