Information card for entry 7045002

Structure parameters

• Formula: C22.5 H29 Cl2 Cu2 Fe N2 P5
• Calculated formula: C22.5 H29 Cl2 Cu2 Fe N2 P5
• Title of publication: Neutral two-dimensional organometallic-organic hybrid polymers based on pentaphosphaferrocene, bipyridyl linkers and CuCl.
• Authors of publication: Elsayed Moussa, M.; Attenberger, B.; Peresypkina, E. V.; Scheer, M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 4
• Pages of publication: 1014 - 1017
• a: 12.3031 ± 0.0002 Å
• b: 19.7158 ± 0.0003 Å
• c: 24.8166 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6019.65 ± 0.17 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0344
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No