Information card for entry 7706230

Structure parameters

• Formula: C44 H54 N22 Ni4 O4
• Calculated formula: C44 H54 N22 Ni4 O4
• 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: 8.473 ± 0.011 Å
• b: 20.53 ± 0.03 Å
• c: 17.43 ± 0.02 Å
• α: 90°
• β: 103.324 ± 0.015°
• γ: 90°
• Cell volume: 2950 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No