Information card for entry 8107602

Structure parameters

• Formula: C42 H31 Mn N5 O11
• Calculated formula: C42 H31 Mn N5 O11
• Title of publication: The crystal structure of diaqua-(naphthalene-4,5-dicarboxylate-1,8-dicarboxylic anhydride-κ1O)-(4′-(4-(1H-benzimidazolyl-1-yl)phenyl)-2,2′:6′,2″-terpyridine-κ 3 N,N′,N″)–manganese(II) dihydrate, C42H27MnN5O9·2H2O
• Authors of publication: Liu, Xinyao; Liu, Qianyu; Xiao, Leijie; Fu, Weiwei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 5
• Pages of publication: 927 - 929
• a: 12.425 ± 0.0008 Å
• b: 12.7259 ± 0.0008 Å
• c: 14.2946 ± 0.0009 Å
• α: 64.102 ± 0.002°
• β: 79.774 ± 0.002°
• γ: 62.453 ± 0.002°
• Cell volume: 1801.9 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No