Information card for entry 7200534

Structure parameters

• Formula: C40 H42 N4 Na2 O18 Zn2
• Calculated formula: C40 H40 N4 Na2 O18 Zn2
• SMILES: [Na]1234([OH]C)[O]5[Zn]6([n]7ccc[nH]7)(OC(=[O]6)C)OC6=[O]4[Na]478([OH]C)[O]3=C(C[O]2c2c(cc3ccccc3c2)[O]1CC5=O)O[Zn]1([n]2ccc[nH]2)([O]4C(=O)C[O]7c2cc3ccccc3cc2[O]8C6)OC(=[O]1)C
• 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: 8.6774 ± 0.0007 Å
• b: 11.7824 ± 0.0009 Å
• c: 12.3236 ± 0.0015 Å
• α: 108.07 ± 0.003°
• β: 94.205 ± 0.003°
• γ: 109.158 ± 0.002°
• Cell volume: 1109.77 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0576
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No