Information card for entry 4126359

Structure parameters

• Formula: C62 H80 B2 Fe N10 O8
• Calculated formula: C62 H80 B2 Fe N10 O8
• Title of publication: The Intricate Structural Chemistry of M(II)2nLn-Type Assemblies.
• Authors of publication: Cecot, Giacomo; Marmier, Mathieu; Geremia, Silvano; De Zorzi, Rita; Vologzhanina, Anna V.; Pattison, Philip; Solari, Euro; Fadaei Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 24
• Pages of publication: 8371 - 8381
• a: 14.5285 ± 0.0004 Å
• b: 14.8368 ± 0.0004 Å
• c: 14.9997 ± 0.0005 Å
• α: 100.432 ± 0.003°
• β: 104.367 ± 0.003°
• γ: 92.736 ± 0.002°
• Cell volume: 3065.79 ± 0.17 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.063
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No