Information card for entry 7027209

Structure parameters

• Formula: C24 H22 Fe N10 O2 S2
• Calculated formula: C24 H22 Fe0.5 N10 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: 7.232 ± 0.004 Å
• b: 16.96 ± 0.003 Å
• c: 11.95 ± 0.003 Å
• α: 90°
• β: 94.65 ± 0.03°
• γ: 90°
• Cell volume: 1460.9 ± 0.9 ų
• Cell temperature: 288.2 K
• Ambient diffraction temperature: 288.2 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 significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.0638
• Goodness-of-fit parameter for significantly intense reflections: 1.423
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No