Information card for entry 2225543

Structure parameters

• Chemical name: 2,2'-{1,1'-[2,2'-Oxalylbis(hydrazin-2-yl-1-ylidene)]diethylidyne}dipyridinium bis(perchlorate) dihydrate
• Formula: C16 H22 Cl2 N6 O12
• Calculated formula: C16 H22 Cl2 N6 O12
• SMILES: c1[nH+]c(ccc1)C(=N\NC(=O)C(=O)N/N=C(/c1cccc[nH+]1)C)\C.[O-]Cl(=O)(=O)=O.O.[O-]Cl(=O)(=O)=O.O
• Title of publication: 2,2'-{1,1'-[2,2'-Oxalylbis(hydrazin-2-yl-1-ylidene)]diethylidyne}dipyridinium bis(perchlorate) dihydrate
• Authors of publication: Kaluderović, Goran N.; Mohamad Eshkourfu, Rabia O.; Gómez-Ruiz, Santiago; Mitić, Dragana; Andelković, Katarina K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o904 - o905
• a: 7.0166 ± 0.0003 Å
• b: 15.6855 ± 0.0005 Å
• c: 10.1152 ± 0.0004 Å
• α: 90°
• β: 90.24 ± 0.003°
• γ: 90°
• Cell volume: 1113.26 ± 0.07 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes