Information card for entry 1551677

Structure parameters

• Formula: C20 H22 Mo2 N2 O8
• Calculated formula: C20 H22 Mo2 N2 O8
• SMILES: [Mo]1234[O]=C(C)O[Mo]4(OC(C)=[O]1)([O]=C(C)O2)([O]=C(C)O3)[n]1ccc(cc1)/C=C/c1cc[n](cc1)[Mo]1234[O]=C(C)O[Mo]4(OC(C)=[O]1)([O]=C(C)O2)([O]=C(C)O3)[n]1ccc(cc1)/C=C/c1ccncc1
• Title of publication: Synthesis and Crystal Structure of a Chain Complex of Molybdenum(II) Acetate and trans-1,2-Bis(4-pyridyl)ethylene in Relation to the N2-Adsorption Property
• Authors of publication: MIKURIYA, Masahiro; TAKADA, Shohei; YOSHIOKA, Daisuke; TANAKA, Hidekazu; HANDA, Makoto
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2013
• Journal volume: 29
• Journal issue: 0
• Pages of publication: 33
• a: 7.6144 ± 0.0015 Å
• b: 8.48 ± 0.0016 Å
• c: 9.714 ± 0.0019 Å
• α: 99.026 ± 0.003°
• β: 112.749 ± 0.003°
• γ: 103.21 ± 0.003°
• Cell volume: 541.72 ± 0.18 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 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: 0.037
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No