Information card for entry 7048255

Structure parameters

• Formula: C2.38 H0.86 N0 Ni0.38 O1.9 Si0.1
• Calculated formula: C2.38095 H0.857143 Ni0.380952 O1.90476 Si0.0952381
• Title of publication: A Ni^II-cluster-based MOF as an efficient heterogeneous catalyst for the chemical transformation of CO₂.
• Authors of publication: Gao, Chao-Ying; Yang, Yang; Liu, Jinghai; Sun, Zhong-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 4
• Pages of publication: 1246 - 1250
• a: 12.26 ± 0.003 Å
• b: 18.225 ± 0.005 Å
• c: 19.795 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4423 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1717
• Weighted residual factors for all reflections included in the refinement: 0.1818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No