Information card for entry 2102521

Structure parameters

• Chemical name: bis(mu!4$-N,N-Diethylcarbamato-O,O',O'',O''')-tetrakis(mu!3$-N,N-diethylcarba- mato-O,O',O'')-hexakis(mu!2$-N,N-diethylcarbamato-O,O')-hexa-iron
• Formula: C60 H120 Fe6 N12 O24
• Calculated formula: C60 Fe6 N12 O24
• SMILES: C1(N(CC)CC)=[O][Fe]234[O]=C(N(CC)CC)O[Fe]567[O]=C(N(CC)CC)O[Fe]89%10([O]%11C(N(CC)CC)=[O][Fe]%12%13%14[O]=C(N(CC)CC)O[Fe]%15%11([O]=C(N(CC)CC)O%10)[O]=C(N(CC)CC)[O]%13[Fe]([O]3C(N(CC)CC)=[O]5)([O]4=C(N(CC)CC)[O]8%15)(O1)([O]%14C(N(CC)CC)=[O]79)[O]=C(N(CC)CC)O%12)[O]6C(N(CC)CC)=[O]2
• Title of publication: 30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum
• Authors of publication: Prof. Clemente Dore Augusto; Prof. Marzotto Armando
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: 287 - 292
• a: 20.939 ± 0.002 Å
• b: 25.243 ± 0.004 Å
• c: 16.048 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8482.4 ± 1.7 ų
• Cell temperature: 0 K
• Number of distinct elements: 5
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK\α
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No