Information card for entry 2239612

Structure parameters

• Chemical name: Diaquabis(nicotinamide-κ<i>N</i>^1^)bis(thiocyanato-κ<i>S</i>)cobalt(II)
• Formula: C14 H16 Co N6 O4 S2
• Calculated formula: C14 H16 Co N6 O4 S2
• SMILES: C(=N[Co]([n]1cc(ccc1)C(=O)N)([OH2])(N=C=S)([n]1cc(ccc1)C(=O)N)[OH2])=S
• Title of publication: Diaquabis(nicotinamide-κ<i>N</i>^1^)bis(thiocyanato-κ<i>S</i>)cobalt(II)
• Authors of publication: Pandey, Deepanjali; Narvi, Shahid S.; Chaudhuri, Siddhartha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: m236
• a: 7.5475 ± 0.0019 Å
• b: 8.054 ± 0.002 Å
• c: 8.932 ± 0.002 Å
• α: 73.347 ± 0.004°
• β: 70.067 ± 0.004°
• γ: 66.559 ± 0.004°
• Cell volume: 461.07 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes