Information card for entry 7706232

Structure parameters

• Formula: C84 H94 B2 Cl2 N14 Ni2
• Calculated formula: C84 H94 B2 Cl2 N14 Ni2
• 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: 10.5897 ± 0.0005 Å
• b: 11.6576 ± 0.0005 Å
• c: 17.2621 ± 0.0007 Å
• α: 77.761 ± 0.002°
• β: 77.184 ± 0.002°
• γ: 87.782 ± 0.002°
• Cell volume: 2030.62 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No