Information card for entry 7106560

Structure parameters

• Formula: C22 H20 Co N6 Se2
• Calculated formula: C22 H20 Co N6 Se2
• SMILES: C(=N[Co]([n]1ccccc1)([n]1ccccc1)(N=C=[Se])([n]1ccccc1)[n]1ccccc1)=[Se]
• Title of publication: Rational route to SCM materials based on 1-D cobalt selenocyanato coordination polymer
• Authors of publication: Jan Boeckmann; Christian Nather
• Journal of publication: Chem. Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 7104
• a: 12.5221 ± 0.0005 Å
• b: 13.2875 ± 0.0007 Å
• c: 15.2441 ± 0.0006 Å
• α: 90°
• β: 108.418 ± 0.003°
• γ: 90°
• Cell volume: 2406.5 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0753
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.237
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No