Information card for entry 4307205

Structure parameters

• Common name: [Ru(Cp*)(H)~2~{κ^2^-P,P-(^i^Pr)~2~PNH(CH~2~)~2~NHP(^i^Pr)~2~}]BPh~4~
• Chemical name: (Pentahapto-pentamethylcyclopentadienyl)-(dihydride)- {bis(diisopropylphosphino-N,N')ethylenediamine-κ^2^-P,P'}-ruthenium tetraphenylborate
• Formula: C48 H71 B N2 P2 Ru
• Calculated formula: C48 H71 B N2 P2 Ru
• SMILES: [RuH2]12345([P](NCCN[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Half-Sandwich Hydride Complexes of Ruthenium with Bidentate Phosphinoamine Ligands: Proton-Transfer Reactions to [(C5R5)RuH(L)] [R = H, Me; L = dippae, (R,R)-dippach]
• Authors of publication: Manuel Jiménez-Tenorio; M. Dolores Palacios Tejero; M.Carmen Puerta; Pedro Valerga
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1001 - 1012
• a: 11.9028 ± 0.0006 Å
• b: 20.1254 ± 0.0011 Å
• c: 19.618 ± 0.0011 Å
• α: 90°
• β: 97.64 ± 0.001°
• γ: 90°
• Cell volume: 4657.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No