Information card for entry 1519554

Structure parameters

• Formula: C70 H56 Cr2 N12 S32
• Calculated formula: C70 H56 Cr2 N12 S32
• SMILES: [Cr]1([n]2cc(c(c3c2c2[n]1cc(c(c2cc3)C)C)C)C)(N=C=S)(N=C=S)(N=C=S)N=C=S.[Cr]1([n]2cc(c(c3c2c2[n]1cc(c(c2cc3)C)C)C)C)(N=C=S)(N=C=S)(N=C=S)N=C=S.S1CCSC2=C1SC(S2)=C1SC2=C(S1)SCCS2.S1C(SC2=C1SCCS2)=C1SC2=C(S1)SCCS2.S1CCSC2=C1SC(S2)=C1SC2=C(S1)SCCS2
• Title of publication: C70H56Cr2N12S32
• Authors of publication: Turner, Scott S.; Horton, Peter N.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2003
• Pages of publication: 930
• a: 8.9162 ± 0.0002 Å
• b: 11.0761 ± 0.0002 Å
• c: 23.861 ± 0.0005 Å
• α: 80.144 ± 0.001°
• β: 87.57 ± 0.001°
• γ: 77.55 ± 0.002°
• Cell volume: 2267.02 ± 0.08 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.0934
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No