Information card for entry 7001640

Structure parameters

• Formula: C40 H34 Mn2 N10 O14
• Calculated formula: C40 H34 Mn2 N10 O14
• SMILES: c1ccc2c3n1[Mn]1(n4cccc5c4c4c(ccc[n]14)c1[nH]cnc51)([n]1c3c(ccc1)c1[nH]cnc21)([OH2])[OH2].[n]12c3C(=O)O[Mn]452(OC(=O)c1ccc3)[n]1c(C(=O)O4)cccc1C(=O)O5.O.O.O.O
• Title of publication: Interplay of coordinative and supramolecular interactions in formation of a series of metal–organic complexes bearing diverse dimensionalities
• Authors of publication: Liu, Jian-Qiang; Zhang, Ya-Nan; Wang, Yao-Yu; Jin, Jun-Cheng; Lermontova, Elmira Kh.; Shi, Qi-Zhen
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 27
• Pages of publication: 5365 - 5378
• a: 13.337 ± 0.003 Å
• b: 17.261 ± 0.003 Å
• c: 17.477 ± 0.004 Å
• α: 90°
• β: 93.743 ± 0.005°
• γ: 90°
• Cell volume: 4014.8 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0769
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 0.819
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No