Information card for entry 7045634

Structure parameters

• Formula: C101.69 H110.94 Fe2 Na O2.81 P4
• Calculated formula: C101.678 H110.924 Fe2 Na O2.811 P4
• Title of publication: Mono- and dinuclear tetraphosphabutadiene ferrate anions.
• Authors of publication: Chakraborty, Uttam; Leitl, Julia; Mühldorf, Bernd; Bodensteiner, Michael; Pelties, Stefan; Wolf, Robert
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 11
• Pages of publication: 3693 - 3697
• a: 23.4789 ± 0.0003 Å
• b: 24.395 ± 0.0002 Å
• c: 16.5309 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9468.37 ± 0.18 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 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: 0.0953
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.2624
• Weighted residual factors for all reflections included in the refinement: 0.2756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No