Information card for entry 7212652

Structure parameters

• Chemical name: [Cu2Cl(OX1)2](ClO4)-9/4(H2O)-3/4(CH3CN)
• Formula: C31.5 H36.75 Cl2 Cu2 N6.75 O12.25
• Calculated formula: C31.5 H32.25 Cl2 Cu2 N6.75 O12.25
• Title of publication: Metal‒organic frameworks with oxazoline-containing tripodal ligand: structure changes via reaction medium and metal-to-ligand ratio
• Authors of publication: Huang, Yong-Qing; Shen, Zhong-Liang; Zhou, Xia-Ying; Okamura, Taka-aki; Su, Zhi; Fan, Jian; Sun, Wei-Yin; Yu, Jin-Quan; Ueyama, Norikazu
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 4328
• a: 22.988 ± 0.011 Å
• b: 25.016 ± 0.012 Å
• c: 13.119 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7544 ± 6 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 59
• Hermann-Mauguin space group symbol: P m m n :2
• Hall space group symbol: -P 2ab 2a
• Residual factor for all reflections: 0.2272
• Residual factor for significantly intense reflections: 0.1452
• Weighted residual factors for significantly intense reflections: 0.3738
• Weighted residual factors for all reflections included in the refinement: 0.4192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.299
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No