Information card for entry 2016942

Structure parameters

• Chemical name: <i>catena</i>-poly[[bis{[tris(2-pyridylmethyl)amine]cobalt(II)}- μ~4~-7,7',8,8'-tetracyanoquinodimethanide(2-)] bis[7,7',8,8'-tetracyanoquinodimethanide(1-)] methanol disolvate]
• Formula: C74 H56 Co2 N20 O2
• Calculated formula: C74 H56 Co2 N20 O2
• SMILES: [Co]1234([N](Cc5[n]2cccc5)(Cc2[n]3cccc2)Cc2[n]1cccc2)[N]#CC(c1ccc(cc1)C(C#N)=C=[N-])=C=N[Co]123([N](Cc5[n]1cccc5)(Cc1[n]2cccc1)Cc1[n]3cccc1)[N]#CC(=C=N4)c1ccc(cc1)C(=C=N[Co]123[N](Cc4[n]2cccc4)(Cc2[n]3cccc2)Cc2[n]1cccc2)C#[N][Co]123[N](Cc4[n]2cccc4)(Cc2[n]3cccc2)Cc2[n]1cccc2.OC.OC.OC.OC.N#CC(=C1C=CC(C=C1)=C(C#N)C#N)C#N.N#CC(=C1C=CC(C=C1)=C(C#N)C#N)C#N.N#CC(=C1C=CC(C=C1)=C(C#N)C#N)C#N.N#CC(=C1C=CC(C=C1)=C(C#N)C#N)C#N
• 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: 8.954 ± 0.002 Å
• b: 11.371 ± 0.003 Å
• c: 17.066 ± 0.004 Å
• α: 73.45 ± 0.02°
• β: 85.55 ± 0.02°
• γ: 74.93 ± 0.02°
• Cell volume: 1608.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 0.863
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes