Information card for entry 2016943

Structure parameters

• Chemical name: <i>catena</i>-poly[[[[tris(2-pyridylmethyl)amine]iron(II)]-μ~2~- 7,7',8,8'-tetracyanoquinodimethanide(2-)] methanol solvate]
• Formula: C31 H26 Fe N8 O
• Calculated formula: C31 H26 Fe N8 O
• SMILES: [Fe]123([N](Cc4[n]1cccc4)(Cc1[n]2cccc1)Cc1[n]3cccc1)([N]#CC(=C1C=CC(C=C1)=C(C#N)C#N)C#N)[N]#CC(=C1C=CC(C=C1)=C(C#[N][Fe]123[N](Cc4[n]1cccc4)(Cc1[n]2cccc1)Cc1[n]3cccc1)C#N)C#N.OC.OC
• Title of publication: Two transition metal coordination polymers of the 7,7,8,8-tetracyanoquinodimethane dianion (TCNQ^2{-^})
• Authors of publication: Wang, Guangbin; Slebodnick, Carla; Yee, Gordon T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m28 - m32
• a: 9.4197 ± 0.001 Å
• b: 18.2526 ± 0.0018 Å
• c: 17.004 ± 0.0018 Å
• α: 90°
• β: 105.275 ± 0.009°
• γ: 90°
• Cell volume: 2820.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.066
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 0.84
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes