Information card for entry 7011713

Structure parameters

• Chemical name: Bis[(S,S)-1,2-bis(1methyl-benzimidazol-2-yl)-1,2-ethanediolate] nickel(II)
• Formula: C38 H48 N8 Ni O9
• Calculated formula: C38 H39 N8 Ni O9
• Title of publication: 1,2-Bis(2-benzimidazolyl)-1,2-ethanediol, a chiral, tridentate, facially coordinating ligand
• Authors of publication: Katharina Isele; Vanessa Broughton; Craig J. Matthews; Alan F. Williams; Gérald Bernardinelli; Patrick Franz; Silvio Decurtins
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 20
• Pages of publication: 3899 - 3905
• a: 13.197 ± 0.0005 Å
• b: 13.197 ± 0.0005 Å
• c: 21.1154 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3184.8 ± 0.2 ų
• Cell temperature: 200 K
• Number of distinct elements: 5
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections included in the refinement: 2.74
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No