Information card for entry 7203106

Structure parameters

• Formula: C30 H32 F12 Mn2 N14 P2
• Calculated formula: C30 H32 F12 Mn2 N14 P2
• SMILES: c1cccc2C=[N]3CCC[N]4[Mn]53([n]12)(N=N#[N][Mn]123([n]6ccccc6C=[N]1CCC[N]2=Cc1[n]3cccc1)N=N#[N]5)[n]1c(C=4)cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Unexpected diversity and novel features within a family of new azide-bridged MnII complexes of pyridyl/imine ligands
• Authors of publication: Karmakar, Tapan K.; Aromí, Guillem; Ghosh, Barindra K.; Usman, A.; Fun, Hoong-Kun; Mallah, Talal; Behrens, U.; Solans, Xavier; Chandra, Swapan K.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2006
• Journal volume: 16
• Journal issue: 3
• Pages of publication: 278
• a: 9.4938 ± 0.0001 Å
• b: 16.1284 ± 0.0002 Å
• c: 12.8164 ± 0.0001 Å
• α: 90°
• β: 94.5494 ± 0.0002°
• γ: 90°
• Cell volume: 1956.26 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• 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: 0.0685
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No