Information card for entry 2200513

Structure parameters

• Formula: C12 H8 Cu N4 O4
• Calculated formula: C12 H8 Cu N4 O4
• SMILES: c1ccc2ccc3ccc[n]4[Cu]56([n]1c2c34)(ON=[O]5)ON=[O]6
• Title of publication: Second crystal form of dinitrito(1,10-phenanthroline)copper(II)
• Authors of publication: Breneman, Gary L.; Howald, Carl W.; Parker, O. Jerry
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: m286 - m287
• a: 9.773 ± 0.001 Å
• b: 17.404 ± 0.002 Å
• c: 7.44 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1265.5 ± 0.3 ų
• Cell temperature: 295 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes