Information card for entry 4080099

Structure parameters

• Formula: C73 H75 N8 O3 P Ru2 S Si
• Calculated formula: C73 H75 N8 O3 P Ru2 S Si
• SMILES: [Ru]1234([Ru]([n]5ccccc5N1c1ccccc1)([n]1c(N2c2ccccc2)cccc1)([n]1ccccc1N3c1ccccc1)([n]1ccccc1N4c1ccccc1)C#Cc1ccc(P(=O)(OC(C)(C)C)OC(C)(C)C)cc1)C#Cc1ccc(SCC[Si](C)(C)C)cc1
• Title of publication: Diruthenium Alkynyl Compounds with Phosphonate Capping Groups
• Authors of publication: Cummings, Steven P.; Savchenko, Julia; Fanwick, Phillip E.; Kharlamova, Anastasia; Ren, Tong
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 4
• Pages of publication: 1129
• a: 10.6343 ± 0.0002 Å
• b: 19.3018 ± 0.0003 Å
• c: 20.5439 ± 0.0014 Å
• α: 113.617 ± 0.008°
• β: 104.457 ± 0.007°
• γ: 90.476 ± 0.006°
• Cell volume: 3713.3 ± 0.4 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.185
• Weighted residual factors for all reflections included in the refinement: 0.201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No