Information card for entry 7200535

Structure parameters

• Formula: C74 H88 N10 O35 Zn4
• Calculated formula: C74 H76 N10 O35 Zn4
• SMILES: [n]1([nH]ccc1)[Zn]12([O]=C(COc3cc4ccccc4cc3OCC(=O)O1)O[Zn](OC(=O)COc1cc3ccccc3cc1OCC(=O)O[Zn]1([n]3[nH]ccc3)([O]=C(COc3cc4ccccc4cc3OCC(=O)O1)O[Zn]([n]1[nH]ccc1)(OC(=O)COc1cc3ccccc3cc1OCC(=O)O2)([OH2])([OH2])[OH2])[OH2])([OH2])([n]1[nH]ccc1)([OH2])[OH2])[OH2].N(C)(C=O)C.CN(C)C=O.O
• Title of publication: Zinc(II) and cobalt(II) complexes of (3-carboxymethoxy-naphthalen-2-yloxy)-acetic acid: a structural study
• Authors of publication: Karmakar, Anirban; Baruah, Jubaraj B.; Boomi Shankar, R.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 832
• a: 11.3948 ± 0.0005 Å
• b: 17.2622 ± 0.0007 Å
• c: 22.0932 ± 0.0009 Å
• α: 98.39 ± 0.002°
• β: 90.784 ± 0.002°
• γ: 98.487 ± 0.002°
• Cell volume: 4249.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.2142
• Weighted residual factors for all reflections included in the refinement: 0.2467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No