Information card for entry 4339536

Structure parameters

• Formula: C34 H30 Cr N8
• Calculated formula: C36 H30 Cr N8
• SMILES: [Cr]1234(N(c5ccc(cc5)C)c5ccccc5[N]1=Nc1[n]2cccc1)[n]1c(N=[N]3c2c(N4c3ccc(cc3)C)cccc2)cccc1
• 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: 17.069 ± 0.002 Å
• b: 18.518 ± 0.002 Å
• c: 19.202 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6069.4 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.322
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No