Information card for entry 2243486

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[diaquabis(<i>N</i>-benzoylglycinato)nickel(II)]-μ-aqua] dihydrate]
• Formula: C18 H26 N2 Ni O11
• Calculated formula: C18 H26 N2 Ni O11
• SMILES: [Ni]([OH2])([OH2][Ni]([OH2])(OC(=O)CNC(=O)c1ccccc1)([OH2])([OH2])OC(=O)CNC(=O)c1ccccc1)(OC(=O)CNC(=O)c1ccccc1)([OH2])OC(=O)CNC(=O)c1ccccc1.O.O.O.O
• Title of publication: Crystal structures of two isostructural bivalent metal <i>N</i>-benzoylglycinates
• Authors of publication: Narvekar, Kedar U.; Srinivasan, Bikshandarkoil R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 8
• Pages of publication: 1260 - 1265
• a: 40.884 ± 0.004 Å
• b: 6.9438 ± 0.0008 Å
• c: 7.8983 ± 0.0008 Å
• α: 90°
• β: 91.9 ± 0.002°
• γ: 90°
• Cell volume: 2241 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes