Information card for entry 7019545

Structure parameters

• Formula: C35 H12 N4 O19 Ru6
• Calculated formula: C35 H12 N4 O19 Ru6
• SMILES: c12c3c(cccc3)[n](c[n]1[RuH]1(C#[O])(C#[O])(C#[O])[Ru]2(C#[O])(C#[O])(C#[O])[Ru]1(C#[O])(C#[O])(C#[O])C#[O])[Ru]123(C#[O])(C#[O])[n]4c(c5c(cccc5)nc4)[Ru]1(C#[O])(C#[O])(C#[O])([H]3)[Ru]2(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Reactions of phthalazine, quinazoline, 4,7-phenanthroline and 2,3'-bipyridine with ruthenium carbonyl.
• Authors of publication: Cabeza, Javier A.; Pruneda, Vanessa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 24
• Pages of publication: 7249 - 7257
• a: 12.8725 ± 0.0002 Å
• b: 23.8018 ± 0.0003 Å
• c: 17.6715 ± 0.0002 Å
• α: 90°
• β: 127.088 ± 0.001°
• γ: 90°
• Cell volume: 4319.08 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0684
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No