Information card for entry 7201096

Structure parameters

• Formula: C26 H28 N4 Ni O7
• Calculated formula: C26 H26 N4 Ni O7
• SMILES: c1cccc([n]1[Ni]12([OH][C@H](C(=O)O1)c1ccccc1)([n]1ccccc1N)[OH][C@H](C(=O)O2)c1ccccc1)N.O.c1cccc([n]1[Ni]12([OH][C@@H](C(=O)O1)c1ccccc1)([n]1ccccc1N)[OH][C@@H](C(=O)O2)c1ccccc1)N.O
• Title of publication: Role of α-hydroxycarboxylic acids in the construction of supramolecular assemblies of nickel(ii) complexes with nitrogen donor coligands
• Authors of publication: Halder, Partha; Chakraborty, Biswarup; Banerjee, Priya Ranjan; Zangrando, Ennio; Paine, Tapan Kanti
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 2650
• a: 14.894 ± 0.004 Å
• b: 17.722 ± 0.003 Å
• c: 10.154 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2680.2 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No