Information card for entry 7020264

Structure parameters

• Common name: [Er2Mn2(ccnm)6(dcnm)2(H2O)2(O)2]
• Chemical name: [Bis(aqua)hexakis(carbamoylcyanonitrosomethanido)bis (dicyanonitrosomethanido)bis(oxo)dimanganese(III)dierbium (III)].undecaacetonitrile.monohydrate
• Formula: C46 H51 Er2 Mn2 N35 O19
• Calculated formula: C46 H51 Er2 Mn2 N35 O19
• Title of publication: Ln(III)2Mn(III)2 heterobimetallic "butterfly" complexes displaying antiferromagnetic coupling (Ln = Eu, Gd, Tb, Er).
• Authors of publication: Chesman, Anthony S. R.; Turner, David R.; Berry, Kevin J.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.; Deacon, Glen B.; Batten, Stuart R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 37
• Pages of publication: 11402 - 11412
• a: 24.0111 ± 0.0004 Å
• b: 14.0491 ± 0.0003 Å
• c: 23.3703 ± 0.0004 Å
• α: 90°
• β: 98.147 ± 0.001°
• γ: 90°
• Cell volume: 7804 ± 0.3 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No