Information card for entry 4060514

Structure parameters

• Formula: C21 H33 B N7 O2 P S W
• Calculated formula: C21 H33 B N7 O2 P S W
• SMILES: [W]123([P](C)(C)C)([n]4n(ccc4)[BH](n4[n]1ccc4)n1[n]2ccc1)(N=O)[CH]1C=C(S[C]3=1C)C.O=C(C)C
• Title of publication: Reactions of Diamidonaphthalene-Bridged Diiridium Tetrahydride with Alkynes: Hydrogenation, Vinylidene Formation, and Catalytic C-C Coupling
• Authors of publication: Jimenez,M.V.; Lahoz, F.J.; Oro,L.A.; Sola.E
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 10.4285 ± 0.0007 Å
• b: 12.7683 ± 0.0008 Å
• c: 19.6515 ± 0.0012 Å
• α: 90°
• β: 99.749 ± 0.001°
• γ: 90°
• Cell volume: 2578.9 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No