Information card for entry 7012294

Structure parameters

• Formula: C39 H62 Fe N2 O
• Calculated formula: C39 H62 Fe N2 O
• Title of publication: A well-defined iron(ii) alkoxide initiator for the controlled polymerisation of lactide
• Authors of publication: Gibson, Vernon C.; Marshall, Edward L.; Navarro-Llobet, Diana; White, Andrew J. P.; Williams, David J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 23
• Pages of publication: 4321
• a: 9.7831 ± 0.0007 Å
• b: 17.927 ± 0.002 Å
• c: 21.781 ± 0.002 Å
• α: 90°
• β: 96.914 ± 0.006°
• γ: 90°
• Cell volume: 3792.2 ± 0.6 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• 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: 0.1096
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections: 0.1519
• Weighted residual factors for significantly intense reflections: 0.1188
• Goodness-of-fit parameter for all reflections: 1.028
• Goodness-of-fit parameter for significantly intense reflections: 1.104
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No