Information card for entry 7017414

Structure parameters

• Formula: C66 H60 Cl4 Fe2 N18 O20.5
• Calculated formula: C66 H60 Cl4 Fe2 N18 O20.5
• Title of publication: Partial spin crossover behaviour in a dinuclear iron(ii) triple helicate.
• Authors of publication: Archer, Rosanna J.; Hawes, Chris S.; Jameson, Guy N. L.; McKee, Vickie; Moubaraki, Boujemaa; Chilton, Nicholas F.; Murray, Keith S.; Schmitt, Wolfgang; Kruger, Paul E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12368 - 12373
• a: 14.82 ± 0.04 Å
• b: 27.22 ± 0.08 Å
• c: 18.98 ± 0.06 Å
• α: 90°
• β: 107.88 ± 0.04°
• γ: 90°
• Cell volume: 7287 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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 all reflections: 0.3104
• Residual factor for significantly intense reflections: 0.1242
• Weighted residual factors for significantly intense reflections: 0.26
• Weighted residual factors for all reflections included in the refinement: 0.3435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No