Information card for entry 8106633

Structure parameters

• Formula: C42 H38 F12 N8 O4 P2 Zn2
• Calculated formula: C42 H38 F12 N8 O4 P2 Zn2
• Title of publication: Crystal structure of (3,6-dioxocyclohexa-1,4-diene-1,4-bis(olato)-κ4 O,O′:O′′,O′′′)-bis(tris(2-pyridylmethyl)amine-κ4 N,N′,N′′,N′′′))-dizinc(II) bis(hexafluorophosphate(V)), C42H38F12N8O4P2Zn2
• Authors of publication: Nan, Li; Li-Fang, Zhang; Yun, Zhao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 4
• Pages of publication: 657 - 659
• a: 11.47 ± 0.002 Å
• b: 16.221 ± 0.003 Å
• c: 11.548 ± 0.002 Å
• α: 90°
• β: 91.03 ± 0.03°
• γ: 90°
• Cell volume: 2148.2 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0387
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No