Information card for entry 2230544

Structure parameters

• Chemical name: Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato- κ<i>N</i>)cadmium
• Formula: C26 H16 Cd N6 S2
• Calculated formula: C26 H16 Cd N6 S2
• SMILES: c1ccc2ccc3ccc[n]4[Cd]5([n]1c2c34)([n]1cccc2ccc3ccc[n]5c3c12)(N=C=S)N=C=S
• Title of publication: Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)cadmium
• Authors of publication: Vallejo, Daniel; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m704 - m705
• a: 13.5295 ± 0.0002 Å
• b: 9.91538 ± 0.00018 Å
• c: 17.5297 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2351.61 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes