Information card for entry 7027670

Structure parameters

• Formula: C62 H54 Co3 N4 O21 P2
• Calculated formula: C62 H48 Co3 N4 O21 P2
• 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: 10.9103 ± 0.001 Å
• b: 11.4372 ± 0.0011 Å
• c: 13.7163 ± 0.0013 Å
• α: 110.791 ± 0.002°
• β: 93.652 ± 0.001°
• γ: 99.355 ± 0.002°
• Cell volume: 1565.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.1592
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections: 0.2604
• Weighted residual factors for significantly intense reflections: 0.1997
• Goodness-of-fit parameter for all reflections: 1.015
• Goodness-of-fit parameter for significantly intense reflections: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No