Information card for entry 2202192

Structure parameters

• Formula: C28 H30 N4 O10 Zn
• Calculated formula: C28 H30 N4 O10 Zn
• SMILES: C(=O)([O-])/C=C/C(=O)[O-].[n]12[Zn]3([n]4c5c2c(ccc1)ccc5ccc4)([n]1cccc2c1c1[n]3cccc1cc2)([OH2])[OH2].O.O.O.O
• Title of publication: An aquazinc(II) complex of 1,10-phenanthroline with fumarate counter-ions
• Authors of publication: Jin Yang; Jian-Fang Ma; Jing-Fu Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: m324 - m326
• a: 10.481 ± 0.002 Å
• b: 10.597 ± 0.002 Å
• c: 13.568 ± 0.003 Å
• α: 97.12 ± 0.03°
• β: 93.55 ± 0.03°
• γ: 105.38 ± 0.03°
• Cell volume: 1434.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.036
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes