Information card for entry 7015762

Structure parameters

• Formula: C95 H74 Mn3 O18
• Calculated formula: C93 H63 Mn3 O16
• SMILES: C1(c2c3ccccc3cc3c2cccc3)=[O][Mn]234(OC(=[O][Mn]56(O1)([O]2[Mn]([O]=C(O3)c1c2ccccc2cc2ccccc12)([O]=C(O5)c1c2ccccc2cc2ccccc12)(OC(c1c2ccccc2cc2ccccc12)=[O]4)(OC(c1c2ccccc2cc2ccccc12)=[O]6)OC)OC)c1c2ccccc2cc2ccccc12)OC
• Title of publication: A mixed valence manganese triangle in a trigonal lattice: structure and magnetism.
• Authors of publication: Taleb, Nassiba; Richards, Victoria J.; Argent, Stephen P.; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Champness, Neil R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 22
• Pages of publication: 5891 - 5894
• a: 18.9299 ± 0.0011 Å
• b: 18.9299 ± 0.0011 Å
• c: 39.504 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12259.4 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.124
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.1882
• Weighted residual factors for all reflections included in the refinement: 0.2057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No