Information card for entry 2228709

Structure parameters

• Chemical name: Bis[1,3-bis(2,4,6-trimethylphenyl)-2,3-dihydro-1<i>H</i>-imidazol-2- ylidene]dinitrosyl(tetrahydroborato-κ^2^<i>H</i>,<i>H</i>')tungsten(0)
• Formula: C42 H52 B N6 O2 W
• Calculated formula: C42 H52 B N6 O2 W
• SMILES: [W]1([H][BH2][H]1)(N=O)(N=O)(=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Bis[1,3-bis(2,4,6-trimethylphenyl)-2,3-dihydro-1<i>H</i>-imidazol-2-ylidene]dinitrosyl(tetrahydroborato-κ^2^<i>H</i>,<i>H</i>')tungsten(0)
• Authors of publication: Fraga-Hernández, Javier; Blacque, Olivier; Berke, Heinz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m94 - m95
• a: 24.7322 ± 0.0013 Å
• b: 11.2183 ± 0.0005 Å
• c: 15.0522 ± 0.0008 Å
• α: 90°
• β: 97.643 ± 0.006°
• γ: 90°
• Cell volume: 4139.2 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes