Information card for entry 7127872

Structure parameters

• Common name: (C75H78N6O9)Fe(BF4)2(CHCl3)2.6(C6H6)3.9
• Formula: C101 H104 B2 Cl7.8 F8 Fe N6 O9
• Calculated formula: C101 H104 B2 Cl7.8 F8 Fe N6 O9
• Title of publication: Exclusive formation of a meridional complex of a tripodand and perfect suppression of guest recognition.
• Authors of publication: Morita, Hiroki; Akine, Shigehisa; Nakamura, Takashi; Nabeshima, Tatsuya
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 17
• Pages of publication: 2124 - 2127
• a: 43.518 ± 0.011 Å
• b: 18.722 ± 0.005 Å
• c: 24.326 ± 0.006 Å
• α: 90°
• β: 97.866 ± 0.003°
• γ: 90°
• Cell volume: 19633 ± 9 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• 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: 0.1034
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No