Information card for entry 7121259

Structure parameters

• Formula: C36 H62 N2 O6 W2
• Calculated formula: C36 H62 N2 O6 W2
• SMILES: c12ccccc1c1c(cccc1)N=[W]13([W](=N2)(OC(C)(C)C)(OC(C)(C)C)([O]1C(C)(C)C)[O]3C(C)(C)C)(OC(C)(C)C)OC(C)(C)C
• Title of publication: Metathesis cleavage of an N[double bond, length as m-dash]N bond in benzo[c]cinnolines and azobenzenes by triply-bonded ditungsten complexes.
• Authors of publication: Ikeda, Hideaki; Nishi, Kohei; Tsurugi, Hayato; Mashima, Kazushi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 30
• Pages of publication: 3709 - 3711
• a: 18.8904 ± 0.0018 Å
• b: 16.4256 ± 0.0014 Å
• c: 13.4978 ± 0.0013 Å
• α: 90°
• β: 106.813 ± 0.0018°
• γ: 90°
• Cell volume: 4009.2 ± 0.6 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0135
• Residual factor for significantly intense reflections: 0.0122
• Weighted residual factors for significantly intense reflections: 0.0313
• Weighted residual factors for all reflections included in the refinement: 0.0315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No