Information card for entry 2204304

Structure parameters

• Chemical name: Bis(hydrogen 5-nitroisophthalato)(1,10-phenanthroline)lead(II) monohydrate
• Formula: C28 H18 N4 O13 Pb
• Calculated formula: C28 H18 N4 O13 Pb
• SMILES: C(=O)(c1cc(C(=O)O)cc(c1)N(=O)=O)O[Pb]1([n]2cccc3c2c2[n]1cccc2cc3)OC(=O)c1cc(cc(c1)N(=O)=O)C(=O)O.O
• Title of publication: Bis(hydrogen 5-nitroisophthalato)(1,10-phenanthroline)lead(II) monohydrate
• Authors of publication: Hong-Ping Xiao; Ji-Xin Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: m1501 - m1503
• a: 22.6083 ± 0.0017 Å
• b: 6.2232 ± 0.0005 Å
• c: 20.0394 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2819.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes