Information card for entry 7023277

Structure parameters

• Common name: [Mn4]
• Formula: C35 H44 Mn4 N3 O16
• Calculated formula: C35 H44 Mn4 N3 O16
• SMILES: [Mn]12345678[Mn]9%10%11%12%13([Mn]%14%15%161([Mn]129(Oc2c(C=[N]1C)cccc2OC)([O]=C(O3)C)([O]%10%14CC)([O]6%11)[O]7%15)(Oc1c(C=[N]%16C)cccc1OC)([O]=C(O5)C)[O]8%12)(Oc1c(C=[N]%13C)cccc1OC)[O]=C(O4)C
• Title of publication: Homo- and heterometallic planes, chains and cubanes.
• Authors of publication: Meally, Seán T; Taylor, Stephanie M.; Brechin, Euan K.; Piligkos, Stergios; Jones, Leigh F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 28
• Pages of publication: 10315 - 10325
• a: 11.6508 ± 0.0004 Å
• b: 16.9627 ± 0.0006 Å
• c: 20.691 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4089.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No