Information card for entry 7027210

Structure parameters

• Formula: C22 H20 Fe N6 O2 S2
• Calculated formula: C22 H20 Fe0.5 N6 O2 S2
• Title of publication: Syntheses and crystal structures of iron co-ordination polymers with 4,4′-bipyridine (4,4′-bpy) and 4,4′-azopyridine (azpy). Two-dimensional networks supported by hydrogen bonding, {[Fe(azpy)(NCS)2(MeOH)2]·azpy}n and {[Fe(4,4′-bpy)(NCS)2(H2O)2]·4,4′-bpy}n
• Authors of publication: Noro, Shin-ichiro; Kondo, Mitsuru; Ishii, Tomohiko; Kitagawa, Susumu; Matsuzaka, Hiroyuki
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 10
• Pages of publication: 1569
• a: 9.017 ± 0.001 Å
• b: 10.222 ± 0.001 Å
• c: 7.489 ± 0.001 Å
• α: 104.318 ± 0.009°
• β: 96.65 ± 0.01°
• γ: 107.454 ± 0.01°
• Cell volume: 624.42 ± 0.14 ų
• Cell temperature: 288.2 K
• Ambient diffraction temperature: 288.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0541
• Goodness-of-fit parameter for significantly intense reflections: 2.036
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No