Information card for entry 4339537

Structure parameters

• Formula: C34 H26 N8 W
• Calculated formula: C34 H26 N8 W
• SMILES: [W]1234([n]5c(N=[N]4c4c(N2c2ccccc2)cccc4)cccc5)N(c2c([N]3=Nc3[n]1cccc3)cccc2)c1ccccc1
• Title of publication: Singlet diradical complexes of chromium, molybdenum, and tungsten with azo anion radical ligands from M(CO)6 precursors.
• Authors of publication: Sanyal, Anasuya; Chatterjee, Sudipta; Castiñeiras, Alfonso; Sarkar, Biprajit; Singh, Priti; Fiedler, Jan; Zális, Stanislav; Kaim, Wolfgang; Goswami, Sreebrata
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 8584 - 8593
• a: 10.4134 ± 0.0014 Å
• b: 17.031 ± 0.002 Å
• c: 16.337 ± 0.002 Å
• α: 90.058 ± 0.002°
• β: 104.629 ± 0.002°
• γ: 89.99 ± 0.002°
• Cell volume: 2803.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0306
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No