Information card for entry 7016695

Structure parameters

• Formula: C38 H54 Cl4 N2 Ru2
• Calculated formula: C38 H54 Cl4 N2 Ru2
• SMILES: N1(C(=[Ru]23456([cH]7[cH]2[c]3([cH]4[cH]5[c]67C(C)C)C)(Cl)Cl)C(N2CCCCC2)=[Ru]23456([c]7([cH]6[cH]5[c]4([cH]3[cH]27)C)C(C)C)(Cl)Cl)CCCCC1.c1ccccc1
• Title of publication: The use of 1,2-dipiperidinoacetylene for the preparation of monometallic diaminoacetylene and homo- or heterobimetallic diaminodicarbene ruthenium(ii) complexes.
• Authors of publication: Petrov, Alex R.; Bannenberg, Thomas; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 40
• Pages of publication: 10503 - 10512
• a: 17.3697 ± 0.0006 Å
• b: 9.725 ± 0.0002 Å
• c: 22.3104 ± 0.0006 Å
• α: 90°
• β: 95.454 ± 0.002°
• γ: 90°
• Cell volume: 3751.62 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections included in the refinement: 0.0429
• Goodness-of-fit parameter for all reflections included in the refinement: 0.785
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No