Information card for entry 7027671

Structure parameters

• Formula: C26 H20 Co N2 O5
• Calculated formula: C26 H20 Co N2 O5
• Title of publication: Crystallisation of H3BTC, H3TPO or H2SDA with MII (M = Co, Mn or Zn) and 2,2′-bipyridyl: design and control of co-ordination architecture, and magnetic properties (H3BTC = benzene-1,3,5-tricarboxylic acid, H3TPO = tris(4-carboxylphenyl)phosphine oxide, H2SDA = cis-stilbene-4,4′-dicarboxylic acid) †
• Authors of publication: Plater, M. John; Foreman, Mark R. St. J.; Coronado, Eugenio; Gómez-García, Carlos J.; Slawin, Alexandra M. Z.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 23
• Pages of publication: 4209
• a: 11.238 ± 0.0001 Å
• b: 13.5519 ± 0.0002 Å
• c: 14.5787 ± 0.0003 Å
• α: 90°
• β: 94.497 ± 0.001°
• γ: 90°
• Cell volume: 2213.45 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for all reflections: 0.1402
• Weighted residual factors for significantly intense reflections: 0.0781
• Goodness-of-fit parameter for all reflections: 1.047
• Goodness-of-fit parameter for significantly intense reflections: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No