Information card for entry 2205659

Structure parameters

• Chemical name: bis(L-histidinato)cobalt(III)‒chloride‒nitrate‒water (1/0.4/0.6/2.5)
• Formula: C12 H21 Cl0.4 Co N6.6 O8.3
• Calculated formula: C12 H17.5 Cl0.4 Co N6.6 O8.3
• Title of publication: <i>trans</i>-Imidazole isomer of the bis(<small>L</small>-histidinato)cobalt(III) complex
• Authors of publication: Leverett J. Zompa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m849 - m851
• a: 29.398 ± 0.003 Å
• b: 9.839 ± 0.001 Å
• c: 13.59 ± 0.001 Å
• α: 90°
• β: 108.189 ± 0.006°
• γ: 90°
• Cell volume: 3734.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes