Information card for entry 7008181

Structure parameters

• Common name: tetraphenylphosphonium (N,N'-bis(2- Hydroxyiminopropionyl)propane-1,3-diamine) -nickelate(ii) monohydrate
• Chemical name: tetraphenylphosphonium (N,N'-bis(2-Hydroxyiminopropionyl)propane-1,3-diamine) -nickelate(II) monohydrate
• Formula: C33 H35 N4 Ni O5 P
• Calculated formula: C33 H35 N4 Ni O5 P
• SMILES: [Ni]123[N](O)=C(C(=O)N2CCCN1C(=O)C(=N3=O)C)C.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O
• Title of publication: Effect of metal ionic radius and chelate ring alternation motif on stabilization of trivalent nickel and copper in binuclear complexes with double cis-oximato bridges.
• Authors of publication: Kanderal, Olga M.; Kozlowski, Henryk; Dobosz, Agnieszka; Swiatek-Kozlowska, Jolanta; Meyer, Franc; Fritsky, Igor O.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 8
• Pages of publication: 1428 - 1437
• a: 10.812 ± 0.002 Å
• b: 21.043 ± 0.004 Å
• c: 14.031 ± 0.003 Å
• α: 90°
• β: 109.89 ± 0.03°
• γ: 90°
• Cell volume: 3001.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0512
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No