Information card for entry 4311291

Structure parameters

• Formula: C90 H102 Cl6 Fe6 N6 O18
• Calculated formula: C90 H102 Cl6 Fe6 N6 O18
• SMILES: Cl[Fe]1234[N]5(CC[O]1[Fe]167([N](CC[O]1[Fe]189([N](CC[O]1[Fe]1%10%11([N](CC[O]1[Fe]1%12%13([N](CC[O]1[Fe]1%14([N](CC[O]21)(CC[O]%13%14)Cc1cccc2ccccc12)(Cl)[O]3CC5)(CC[O]%10%12)Cc1cccc2ccccc12)Cl)(CC[O]9%11)Cc1cccc2ccccc12)Cl)(CC[O]68)Cc1cccc2ccccc12)Cl)(CC[O]47)Cc1cccc2ccccc12)Cl)Cc1cccc2ccccc12.O.O.O.O.O.O
• Title of publication: Six-Membered Metalla-coronands. Synthesis and Crystal Packing: Columns, Compartments, and 3D-Networks,
• Authors of publication: Rolf W. Saalfrank; Christian Deutscher; Stefan Sperner; Takayuki Nakajima; Ayuk M. Ako; Eveline Uller; Frank Hampel; Frank W. Heinemann
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4372 - 4382
• a: 30.06 ± 0.003 Å
• b: 30.06 ± 0.003 Å
• c: 12.127 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9490 ± 2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No