Information card for entry 4126149

Structure parameters

• Common name: [LCo3(C6H16N2)3]_3TFPB_2H2O_1.5MeOH
• Formula: C217.5 H196 B3 Co3 F72 N12 O15.5
• Calculated formula: C217.5 H196 B3 Co3 F72 N12 O15.5
• Title of publication: A Metallo-molecular Cage That Can Close the Apertures with Coordination Bonds.
• Authors of publication: Akine, Shigehisa; Miyashita, Masato; Nabeshima, Tatsuya
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 13
• Pages of publication: 4631 - 4634
• a: 19.2543 ± 0.0004 Å
• b: 20.7309 ± 0.0004 Å
• c: 29.5488 ± 0.0006 Å
• α: 85.803 ± 0.001°
• β: 82.661 ± 0.001°
• γ: 74.247 ± 0.001°
• Cell volume: 11249.5 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1469
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.1801
• Weighted residual factors for all reflections included in the refinement: 0.2166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No