Information card for entry 2211278

Structure parameters

• Chemical name: Bis(1,10-phenanthroline-5,6-dione) diaminoglyoxime
• Formula: C26 H18 N8 O6
• Calculated formula: C26 H18 N8 O6
• SMILES: O=C1C(=O)c2cccnc2c2c1cccn2.O=C1C(=O)c2cccnc2c2c1cccn2.O/N=C(/C(=N/O)N)N
• Title of publication: Bis(1,10-phenanthroline-5,6-dione) diaminoglyoxime
• Authors of publication: Deshpande, Megha S.; Näther, Christian; Bensch, Wolfgang; Kumbhar, Avinash S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5910 - o5912
• a: 7.1513 ± 0.0008 Å
• b: 9.3637 ± 0.0014 Å
• c: 9.6271 ± 0.0012 Å
• α: 78.712 ± 0.016°
• β: 81.427 ± 0.015°
• γ: 68.269 ± 0.015°
• Cell volume: 585.18 ± 0.15 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes