Information card for entry 4332994

Structure parameters

• Formula: C40 H71 Mo2 N2 Ni O21.5
• Calculated formula: C40 H60 Mo2 N2 Ni O21.25
• Title of publication: Helicity Induction through Hydrogen Bonding and Spontaneous Resolution of a Bimetallic Nickel Complex Coordinated to an Octahedral Metalloligand
• Authors of publication: Khatua, Snehadrinarayan; Stoeckli-Evans, Helen; Harada, Takunori; Kuroda, Reiko; Bhattacharjee, Manish
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 24
• Pages of publication: 9619 - 9621
• a: 13.6309 ± 0.0011 Å
• b: 11.5596 ± 0.0007 Å
• c: 16.6061 ± 0.0012 Å
• α: 90°
• β: 96.355 ± 0.006°
• γ: 90°
• Cell volume: 2600.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No