Information card for entry 7000222

Structure parameters

• Formula: C18 H24 I2 Mn N6
• Calculated formula: C18 H24 I2 Mn N6
• SMILES: [I-].c1c2C=[N]3CC[NH]4[Mn]563([n]2ccc1)[n]1ccccc1C=[N]5CC[NH]6CC4.[I-]
• Title of publication: Selective complexation of 3d metal(ii) ions with multidentate and chiral isomers derived from condensation of 2-pyridinecarboxaldehyde with triethylenetetramine
• Authors of publication: Lee, Yong-Min; Kim, Eun-Sook; Kim, Hee-Jin; Choi, Hee Jung; Kim, Young-Inn; Kang, Sung Kwon; Choi, Sung-Nak
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 1
• Pages of publication: 126 - 133
• a: 15.283 ± 0.0008 Å
• b: 10.7407 ± 0.0007 Å
• c: 14.2469 ± 0.0008 Å
• α: 90°
• β: 98.891 ± 0.005°
• γ: 90°
• Cell volume: 2310.5 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0367
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No