Information card for entry 7207255

Structure parameters

• Common name: [FeL4(bpms)]HS
• Formula: C42 H38 Fe N4 O6 S
• Calculated formula: C42 H38 Fe N4 O6 S
• Title of publication: Iron(ii) spin transition coordination polymers with a zigzag structure
• Authors of publication: Bauer, Wolfgang; Dîrtu, Marinela M.; Garcia, Yann; Weber, Birgit
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 1223
• a: 19.2017 ± 0.0005 Å
• b: 16.2729 ± 0.0008 Å
• c: 25.7799 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8055.4 ± 0.6 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 0.823
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No