Information card for entry 7056478

Structure parameters

• Formula: C34 H24 Mo N4 P2 S4
• Calculated formula: C34 H24 Mo N4 P2 S4
• SMILES: C1(S[Mo]23([P](c4ccccc4)(c4ccccc4)CC[P]2(c2ccccc2)c2ccccc2)(SC=1C#N)SC(C#N)=C(S3)C#N)C#N
• Title of publication: Mononuclear Bis(dithiolene) Mo(IV) and W(IV) Complexes with P, P; S, S; O, S and O, O Donor Ligands: A Comparative Reactivity Study
• Authors of publication: Khatua, Suman; Naskar, Tilak; Nandi, Chandan; Majumdar, Amit
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 18
• Pages of publication: 9769 - 9783
• a: 8.533 ± 0.0002 Å
• b: 11.5039 ± 0.0003 Å
• c: 18.6464 ± 0.0005 Å
• α: 107.952 ± 0.001°
• β: 93.871 ± 0.001°
• γ: 103.428 ± 0.001°
• Cell volume: 1674.43 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No