Information card for entry 7703643

Structure parameters

• Formula: C30 H32 As F6 Mn N4 O2
• Calculated formula: C30 H32 As F6 Mn N4 O2
• SMILES: O1c2ccc3ccccc3c2C=[N]2CCC[NH]3CC[NH]4CCC[N]5=Cc6c7ccccc7ccc6O[Mn]12345.[As](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: 8.0135 ± 0.0007 Å
• b: 16.2305 ± 0.0012 Å
• c: 23.848 ± 0.0018 Å
• α: 90°
• β: 99.336 ± 0.002°
• γ: 90°
• Cell volume: 3060.7 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0748
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No