Information card for entry 2217998

Structure parameters

• Common name: (Pyridino-15-crown-5-κ^5^N,O,O',O'',O''')bis(thiocyanato-κN)manganese(II)
• Chemical name: [3,6,9,12-tetraoxa-18-azabicyclo[12.3.1]octacosa- 14(18),15,17-triene-κ^5^N,O,O',O'',O''']bis(thiocyanato-κN)manganese(II)
• Formula: C15 H19 Mn N3 O4 S2
• Calculated formula: C15 H19 Mn N3 O4 S2
• SMILES: [Mn]1234([n]5c6C[O]1CC[O]4CC[O]3CC[O]2Cc5ccc6)(N=C=S)N=C=S
• Title of publication: (Pyridino-15-crown-5-κ^5^<i>N</i>,<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''')bis(thiocyanato-κ<i>N</i>)manganese(II)
• Authors of publication: Li, Chengjuan; Feng, Zejing; Li, Dacheng; Wang, Daqi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: m557
• a: 15.211 ± 0.005 Å
• b: 15.789 ± 0.005 Å
• c: 7.868 ± 0.002 Å
• α: 90°
• β: 98.667 ± 0.004°
• γ: 90°
• Cell volume: 1868.1 ± 1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0746
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes