Information card for entry 7227324

Structure parameters

• Chemical name: catena-poly-[bis-μ~4~-(((adamantane-1,3-diyl)‒di-(phen-4-yl))-di-(carboxylato-κO:κO'))‒bis-N,N-dimethylformamide-κO-dimanganese(II)]
• Formula: C27 H29 Mn N O5
• Calculated formula: C27 H29 Mn N O5
• Title of publication: A view on systematic truncation of tetrahedral ligands for coordination polymers
• Authors of publication: Zhao, Tian; Heering, Christian; Boldog, Ishtvan; Domasevitch, Konstantin V.; Janiak, Christoph
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 5
• Pages of publication: 776
• a: 12.5159 ± 0.001 Å
• b: 19.1864 ± 0.0014 Å
• c: 9.9596 ± 0.0008 Å
• α: 90°
• β: 94.649 ± 0.003°
• γ: 90°
• Cell volume: 2383.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No