Information card for entry 7207253

Structure parameters

• Common name: poly-(E,E)-((diethyl-2,2'-(1,2- phenylenebis(iminomethylidyne))bis(3-oxobutanato) (2-)- N,N',O$3,O!3')(bis(4-pyridylmethyl)sulfide)iron(ii)
• Chemical name: poly-(E,E)-[{diethyl-2,2'-[1,2-phenylenebis(iminomethylidyne)]bis[3-oxobutanato] (2-)-N,N',O^3,O^3'}(bis(4-pyridylmethyl)sulfide)iron(II)
• Formula: C32 H34 Fe N4 O6 S
• Calculated formula: C32 H34 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: 12.164 ± 0.007 Å
• b: 19.0805 ± 0.0011 Å
• c: 16.115 ± 0.007 Å
• α: 90°
• β: 125.95 ± 0.03°
• γ: 90°
• Cell volume: 3028 ± 2 ų
• Cell temperature: 225 ± 2 K
• Ambient diffraction temperature: 225 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No