Information card for entry 4350327

Structure parameters

• Formula: C33 H25 Mo S4
• Calculated formula: C33 H25 Mo S4
• SMILES: [Mo]123456(SC(=C(S1)c1ccccc1)c1ccccc1)(SC(=C(S2)c1ccccc1)c1ccccc1)[cH]1[cH]6[cH]5[cH]4[cH]31
• Title of publication: Heterometallic dithiolene complexes formed by stepwise displacement of cyclopentadienyl ligands from nickelocene with CpMo(S2C2Ph2)2.
• Authors of publication: Adams, Harry; Gardner, Hannah C.; McRoy, Richard A.; Morris, Michael J.; Motley, Jeffrey C.; Torker, Sebastian
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10967 - 10975
• a: 11.1395 ± 0.0019 Å
• b: 11.408 ± 0.002 Å
• c: 11.938 ± 0.002 Å
• α: 79.504 ± 0.003°
• β: 81.005 ± 0.003°
• γ: 70.743 ± 0.003°
• Cell volume: 1400.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No