Information card for entry 2225631

Structure parameters

• Chemical name: Bis[4-(2-carbamoylhydrazin-1-ylidene-κ^2^<i>N</i>^1^,<i>O</i>)-5- hydroxymethyl-2-methylpyridinium-3-olato-κ<i>O</i>^3^]cobalt(II) dinitrate dihydrate
• Formula: C18 H28 Co N10 O14
• Calculated formula: C18 H28 Co N10 O14
• SMILES: [Co]1234([O]=C(N)N[N]1=Cc1c(CO)c[nH+]c(c1O2)C)[O]=C(N[N]3=Cc1c(O4)c([nH+]cc1CO)C)N.O.O=N(=O)[O-].O.O=N(=O)[O-]
• Title of publication: Bis[4-(2-carbamoylhydrazin-1-ylidene-κ^2^<i>N</i>^1^,<i>O</i>)-5-hydroxymethyl-2-methylpyridinium-3-olato-κ<i>O</i>^3^]cobalt(II) dinitrate dihydrate
• Authors of publication: Vidovic, Dragoslav; Jevtovic, Violeta
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m408 - m409
• a: 11.0358 ± 0.0001 Å
• b: 18.4859 ± 0.0002 Å
• c: 13.838 ± 0.0001 Å
• α: 90°
• β: 106.571 ± 0.0006°
• γ: 90°
• Cell volume: 2705.8 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0467
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for all reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.0413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1374
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes