Information card for entry 7227062

Structure parameters

• Formula: C23 H42 Gd Mo N12 O7
• Calculated formula: C23 H42 Gd Mo N12 O7
• Title of publication: SHG-active LnIII‒[MoI(CN)5(NO)]3− (Ln = Gd, Eu) magnetic coordination chains: a new route towards non-centrosymmetric molecule-based magnets
• Authors of publication: Komine, Masaya; Chorazy, Szymon; Imoto, Kenta; Nakabayashi, Koji; Ohkoshi, Shin-ichi
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 1
• Pages of publication: 18
• a: 21.4968 ± 0.0012 Å
• b: 9.8959 ± 0.0005 Å
• c: 16.3664 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3481.6 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No