Information card for entry 7003297

Structure parameters

• Formula: C72 H238 Cl10 Fe9 N24 O81
• Calculated formula: C72 H144 Cl9.82 Fe9 N24 O81.55
• Title of publication: Synthesis of new polymetallic iron(iii) clusters containing polycarboxylate ligands based on cavity-blocked cyclen
• Authors of publication: Abu-Nawwas, Abd-Alhakeem H.; Mason, Pamela V.; Milway, Victoria A.; Muryn, Christopher A.; Pritchard, Robin J.; Tuna, Floriana; Collison, David; Winpenny, Richard E. P.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 2
• Pages of publication: 198 - 200
• a: 16.752 ± 0.003 Å
• b: 16.968 ± 0.003 Å
• c: 30.959 ± 0.006 Å
• α: 90.77 ± 0.03°
• β: 95.26 ± 0.03°
• γ: 116.69 ± 0.03°
• Cell volume: 7815 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0621
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6933 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No