Information card for entry 7200532

Structure parameters

• Formula: C34 H38 N4 O12 Zn
• Calculated formula: C34 H38 N4 O12 Zn
• SMILES: [Zn]123([O]=C(COc5cc6ccccc6cc5OCC(=O)[O-])O3)([n]3ccccc3c3cccc[n]13)[n]1ccccc1c1cccc[n]21.O.O.O.O.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: 10.8004 ± 0.0001 Å
• b: 11.7121 ± 0.0002 Å
• c: 15.6378 ± 0.0002 Å
• α: 102.683 ± 0.001°
• β: 106.283 ± 0.001°
• γ: 101.937 ± 0.001°
• Cell volume: 1774.72 ± 0.05 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: 0.0919
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.1915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No