Information card for entry 4100217

Structure parameters

• Formula: C22 H24 B Cl3 Mo N6 O5
• Calculated formula: C22 H24 B Cl3 Mo N6 O5
• SMILES: [BH]12[n]3ccc[n]3[Mo]34(C#[O])(C#[O])(C5([CH]3=[CH]4[C@H]3CC(=O)CC[C@@H]5O3)OC)([n]3cccn13)[n]1cccn21.C(Cl)(Cl)Cl.[BH]12[n]3ccc[n]3[Mo]34(C#[O])(C#[O])(C5([CH]3=[CH]4[C@@H]3CC(=O)CC[C@H]5O3)OC)([n]3cccn13)[n]1cccn21.C(Cl)(Cl)Cl
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 8.775 ± 0.0017 Å
• b: 10.558 ± 0.002 Å
• c: 15.442 ± 0.003 Å
• α: 89.165 ± 0.004°
• β: 79.929 ± 0.004°
• γ: 67.509 ± 0.003°
• Cell volume: 1299.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No