Information card for entry 7703647

Structure parameters

• Formula: C30 H32 F6 Mn N4 O2 Sb
• Calculated formula: C30 H32 F6 Mn N4 O2 Sb
• SMILES: c12ccc3ccccc3c1C=[N]1CCC[NH]3CC[NH]4CCC[N]5=Cc6c7ccccc7ccc6O[Mn]1345O2.[Sb](F)(F)(F)(F)(F)[F-]
• Title of publication: Structure-function correlations in mononuclear manganese(iii) spin crossover systems with a big conjugated hexadentate Schiff-base ligand.
• Authors of publication: Zhao, Sheng-Ze; Qin, Chun-Yan; Wang, Shi; Yamashita, Masahiro; Li, Yong-Hua; Huang, Wei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 14
• Pages of publication: 4293 - 4305
• a: 7.9515 ± 0.0007 Å
• b: 16.5772 ± 0.0014 Å
• c: 22.8646 ± 0.0019 Å
• α: 90°
• β: 98.186 ± 0.002°
• γ: 90°
• Cell volume: 2983.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0399
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No