Information card for entry 7029897

Structure parameters

• Formula: C76 H108 Cl2 Li2 Mo N4 O4
• Calculated formula: C76 H108 Cl2 Li2 Mo N4 O4
• Title of publication: Syntheses and structures of Li, Fe, and Mo derivatives of N,N'-bis(2,6-diisopropylphenyl)-o-phenylenediamine.
• Authors of publication: Janes, Trevor; Rawson, Jeremy M.; Song, Datong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 29
• Pages of publication: 10640 - 10648
• a: 21.8154 ± 0.0018 Å
• b: 25.039 ± 0.003 Å
• c: 16.3773 ± 0.0013 Å
• α: 90°
• β: 118.185 ± 0.004°
• γ: 90°
• Cell volume: 7885.1 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.1277
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.17
• Weighted residual factors for all reflections included in the refinement: 0.1829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No