Information card for entry 7246125

Structure parameters

• Formula: C43 H31.5 Cl9.5 Fe4 N8 O1.5
• Calculated formula: C43 H31.5 Cl9.5 Fe4 N8 O1.5
• Title of publication: An ionic Fe-based metal–organic-framework with 4′-pyridyl-2,2′:6′,2′′-terpyridine for catalytic hydroboration of alkynes
• Authors of publication: Zhang, Guoqi; Zheng, Shengping; Neary, Michelle C.
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 4
• Pages of publication: 2225 - 2232
• a: 11.4061 ± 0.0012 Å
• b: 14.7072 ± 0.0015 Å
• c: 16.0129 ± 0.0017 Å
• α: 101.764 ± 0.002°
• β: 110.162 ± 0.002°
• γ: 92.028 ± 0.002°
• Cell volume: 2452.3 ± 0.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1451
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1662
• Weighted residual factors for all reflections included in the refinement: 0.2045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No