Information card for entry 4347445

Structure parameters

• Common name: [K(222)][Mn(TTP)(CN)]PhCl
• Formula: C73 H77 Cl K Mn N7 O6
• Calculated formula: C73 H77 Cl K Mn N7 O6
• SMILES: [Mn]123(C#N)n4c5=C(c6ccc(=C(c7ccc(C(=c8ccc(C(=c4cc5)c4ccc(C)cc4)[n]18)c1ccc(C)cc1)n27)c1ccc(C)cc1)[n]36)c1ccc(C)cc1.C1C[O]2CC[O]3CC[N]45CC[O]6CC[O]7CC[N]81CC[O]1CC[O](CC4)[K]2356781.c1(ccccc1)Cl
• Title of publication: Axial Mn-CCN Bonds of Cyano Manganese(II) Porphyrin Complexes: Flexible and Weak?
• Authors of publication: He, Mingrui; Li, Xiangjun; Liu, Yanhong; Li, Jianfeng
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 5871 - 5879
• a: 11.7796 ± 0.0003 Å
• b: 14.8337 ± 0.0004 Å
• c: 20.0496 ± 0.0006 Å
• α: 81.69 ± 0.002°
• β: 74.862 ± 0.002°
• γ: 86.134 ± 0.002°
• Cell volume: 3344.68 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.1667
• 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: No