Information card for entry 1551678

Structure parameters

• Formula: C20 H24 Mo2 N2 O8
• Calculated formula: C20 H24 Mo2 N2 O8
• SMILES: c1cc(CCc2ccncc2)cc[n]1[Mo]1234[O]=C(C)O[Mo]4([O]=C(C)O1)(OC(C)=[O]3)([O]=C(C)O2)[n](cc1)ccc1CCc1cc[n](cc1)[Mo]1234[O]=C(C)O[Mo]4([O]=C(C)O1)(OC(C)=[O]3)[O]=C(C)O2
• Title of publication: Synthesis and Crystal Structure of a Chain Complex of Molybdenum(II) Acetate and 1,2-Bis(4-pyridyl)ethane Aiming at N2-Adsorption Property
• Authors of publication: MIKURIYA, Masahiro; KAIHARA, Noriaki; YAMAMOTO, Junya; 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: 31
• a: 7.8313 ± 0.0012 Å
• b: 8.5393 ± 0.0013 Å
• c: 9.9498 ± 0.0014 Å
• α: 73.412 ± 0.003°
• β: 68.894 ± 0.002°
• γ: 73.198 ± 0.003°
• Cell volume: 581.86 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0387
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No