Information card for entry 7706231

Structure parameters

• Formula: C80 H92 Fe2 N30 Ni2 O10
• Calculated formula: C80 H92 Fe2 N30 Ni2 O10
• Title of publication: Evidence of protonation induced intra-molecular metal-to-metal charge transfer in a highly symmetric cyanido bridged {Fe₂Ni₂} molecular square.
• Authors of publication: Mudoi, Prashurya Pritam; Sarma, Bipul; Choudhury, Anup; Gogoi, Nayanmoni
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 6
• Pages of publication: 2057 - 2066
• a: 28.33 ± 0.1 Å
• b: 13.73 ± 0.04 Å
• c: 26.51 ± 0.08 Å
• α: 90°
• β: 105.62 ± 0.06°
• γ: 90°
• Cell volume: 9931 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1942
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.1814
• Weighted residual factors for all reflections included in the refinement: 0.2414
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No