Information card for entry 2012726

Structure parameters

• Chemical name: Tetrakis(μ-benzothiazole-2-thiolato)-1:2κ^4^N:S^2^;1:2κ^4^S^2^:N- dichloro-1κCl,2κCl-dirhenium(III)(Re-Re) dichloromethane solvate
• Formula: C29 H18 Cl4 N4 Re2 S8
• Calculated formula: C29 H18 Cl4 N4 Re2 S8
• SMILES: [Re]1234([Re](Cl)(Sc5sc6c([n]35)cccc6)(Sc3sc5c([n]43)cccc5)([n]3c(S1)sc1c3cccc1)[n]1c(S2)sc2c1cccc2)Cl.C(Cl)Cl
• Title of publication: Tetrakis(μ-benzothiazole-2-thiolato)-1:2κ^4^<i>N</i>:<i>S</i>^2^;1:2κ^4^<i>S</i>^2^:<i>N</i>-dichloro-1κ<i>Cl</i>,2κ<i>Cl</i>-dirhenium(III)(<i>Re</i>—<i>Re</i>) dichloromethane solvate: a bridged complex with a long Re—Re quadruple bond
• Authors of publication: Horne, Keri T.; Powell, Gregory L.; Daniels, Lee M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: m292 - m294
• a: 12.9408 ± 0.0007 Å
• b: 15.5347 ± 0.0008 Å
• c: 17.5303 ± 0.0009 Å
• α: 90°
• β: 92.092 ± 0.001°
• γ: 90°
• Cell volume: 3521.8 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• 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: 0.038
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes