Information card for entry 7703381

Structure parameters

• Chemical name: NibpyfcdHp
• Formula: C21 H22 Fe N2 Ni O5 P2
• Calculated formula: C21 H22 Fe N2 Ni O5 P2
• Title of publication: 3D Ni and Co redox-active metal-organic frameworks based on ferrocenyl diphosphinate and 4,4'-bipyridine ligands as efficient electrocatalysts for the hydrogen evolution reaction.
• Authors of publication: Khrizanforova, Vera; Shekurov, Ruslan; Miluykov, Vasily; Khrizanforov, Mikhail; Bon, Volodymyr; Kaskel, Stefan; Gubaidullin, Aidar; Sinyashin, Oleg; Budnikova, Yulia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 9
• Pages of publication: 2794 - 2802
• a: 10.71 ± 0.002 Å
• b: 17.59 ± 0.004 Å
• c: 11.29 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2126.9 ± 0.7 ų
• Cell temperature: 263 ± 2 K
• Ambient diffraction temperature: 263 ± 2 K
• Number of distinct elements: 7
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.234
• Diffraction radiation wavelength: 0.88556 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No