Information card for entry 7001942

Structure parameters

• Formula: C36 H39 Cl2 N5 V
• Calculated formula: C36 H39 Cl2 N5 V
• SMILES: [V](Cl)(Cl)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)=C1N(C=CN1c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C
• Title of publication: Synthesis and structure of early transition metal NHC complexes
• Authors of publication: Lorber, Christian; Vendier, Laure
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 6972
• a: 11.5667 ± 0.0009 Å
• b: 17.0017 ± 0.001 Å
• c: 17.8222 ± 0.0012 Å
• α: 90°
• β: 104.448 ± 0.003°
• γ: 90°
• Cell volume: 3394 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No