Information card for entry 2237576

Structure parameters

• Chemical name: Bis{2-[(guanidinoimino)methyl]phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}cobalt(III) chloride hemihydrate
• Formula: C16 H19 Cl Co N8 O2.5
• Calculated formula: C16 H19 Cl Co N8 O2.5
• SMILES: [Co]1234(Oc5c(C=[N]1NC(=[NH]2)N)cccc5)Oc1c(C=[N]3NC(=[NH]4)N)cccc1.[Cl-].O
• Title of publication: Bis{2-[(guanidinoimino)methyl]phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}cobalt(III) chloride hemihydrate
• Authors of publication: Buvaylo, Elena A.; Kokozay, Vladimir N.; Vassilyeva, Olga Yu.; Skelton, Brian W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: m165 - m166
• a: 9.9043 ± 0.0002 Å
• b: 10.2078 ± 0.0002 Å
• c: 18.5358 ± 0.0004 Å
• α: 100.773 ± 0.002°
• β: 92.019 ± 0.002°
• γ: 91.458 ± 0.002°
• Cell volume: 1838.84 ± 0.07 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: 0.0518
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes