Information card for entry 4061472

Structure parameters

• Common name: [Ru(η^5^C~5~Me~5~)(N~2~){(Κ^2^-P,P')-^i^Pr~2~PNHCH~2~CH~2~NHP^i^Pr~2~}] [B{(C~6~H~3~(CF~3~)~2~}~4~]
• Formula: C55 H56 B2 F24 N10 P2 Ru
• Calculated formula: C55 H56 B2 F24 N10 P2 Ru
• SMILES: c1c([B-](c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc(cc1C(F)(F)F)C(F)(F)F.[Ru]123([P](NCCN[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)([n]1[n](ccc1)[BH]([n]1[n]2ccc1)[n]1[n]3ccc1)[N]#N
• Authors of publication: Manuel Jiménez-Tenorio; M. Dolores Palacios Tejero; M.Carmen Puerta; Pedro Valerga
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 19.0967 ± 0.0015 Å
• b: 18.5933 ± 0.0015 Å
• c: 18.3316 ± 0.0015 Å
• α: 90°
• β: 108.191 ± 0.002°
• γ: 90°
• Cell volume: 6183.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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