Information card for entry 4068891

Structure parameters

• Formula: C102 H98 Ag2 B2 N10
• Calculated formula: C102 H98 Ag2 B2 N10
• SMILES: [B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C(CCC)N1C2=[Ag]=C3N(CCCC)c4ccccc4N3c3cccc(N4C(=[Ag]=C5N(CCCC)c6ccccc6N5c5nc(ccc5)N2c2ccccc12)N(CCCC)c1ccccc41)n3.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Silver and Palladium Complexes of a Bis(benzimidazolin-2-ylidene)pyridine Pincer Ligand
• Authors of publication: Brown, David H.; Nealon, Gareth L.; Simpson, Peter V.; Skelton, Brian W.; Wang, Zhisen
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 6
• Pages of publication: 1965
• a: 24.0034 ± 0.0013 Å
• b: 17.3322 ± 0.0005 Å
• c: 20.4685 ± 0.0007 Å
• α: 90°
• β: 104.162 ± 0.004°
• γ: 90°
• Cell volume: 8256.7 ± 0.6 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: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No