Information card for entry 7003318

Structure parameters

• Formula: C40 H40 Cl8 Mn4 N6 O20
• Calculated formula: C40 H40 Cl8 Mn4 N6 O20
• SMILES: c12cccc[n]1[Mn]1345[n]6c(cccc6)C[O]3[Mn]36([n]7c(cccc7)C[O]53[Mn]357([n]8c(cccc8)C[O]65)[n]5c(cccc5)C[O]7[Mn]5([O]1C2)(OC(=O)C(Cl)(Cl)Cl)([OH2])[n]1c(cccc1)C[O]435)(OC(=O)C(Cl)(Cl)Cl)[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: One-dimensional coordination polymers of antiferromagnetically-coupled [Mn4] single-molecule magnets
• Authors of publication: Lecren, Lollita; Roubeau, Olivier; Li, Yang-Guang; Le Goff, Xavier F.; Miyasaka, Hitoshi; Richard, Florent; Wernsdorfer, Wolfgang; Coulon, Claude; Clérac, Rodolphe
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 6
• Pages of publication: 755 - 766
• a: 11.169 ± 0.002 Å
• b: 11.475 ± 0.002 Å
• c: 12.184 ± 0.003 Å
• α: 80.32 ± 0.03°
• β: 70.54 ± 0.02°
• γ: 65.73 ± 0.03°
• Cell volume: 1341.3 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No