Information card for entry 7027292

Structure parameters

• Formula: C108 H98 B4 F24 Mn4 N40 O P4
• Calculated formula: C108 H98 B4 F24 Mn4 N39.7 O P4
• Title of publication: Effects of metal co-ordination geometry on self-assembly: a monomeric complex with trigonal prismatic metal co-ordination vs. tetrameric complexes with octahedral metal co-ordination
• Authors of publication: Paul, Rowena L.; Amoroso, Angelo J.; Jones, Peter L.; Couchman, Samantha M.; Reeves, Zoe R.; Rees, Leigh H.; Jeffery, John C.; McCleverty, Jon A.; Ward, Michael D.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 10
• Pages of publication: 1563
• a: 21.778 ± 0.008 Å
• b: 20.352 ± 0.006 Å
• c: 28.898 ± 0.009 Å
• α: 90°
• β: 103.83 ± 0.03°
• γ: 90°
• Cell volume: 12437 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections: 0.169
• Weighted residual factors for significantly intense reflections: 0.1529
• Goodness-of-fit parameter for all reflections: 1.092
• Goodness-of-fit parameter for significantly intense reflections: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No