Information card for entry 7004713

Structure parameters

• Formula: C42 H40 N16 O15 Ru
• Calculated formula: C42 H40 N16 O15 Ru
• SMILES: [Ru]1234([n]5ccccc5c5[n]1c(cc(N/N=C/c1cc[nH+]cc1)c5)c1[n]2cccc1)[n]1ccccc1c1[n]3c(cc(N/N=C/c2cc[nH+]cc2)c1)c1[n]4cccc1.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O
• Title of publication: Curly‒curly, loop‒loop: homoleptic metal(ii) complexes of pyridinecarbaldehyde 4′-(2,2′:6′,2″-terpyridyl)hydrazones and their coordination polymers
• Authors of publication: Beves, Jonathon E.; Constable, Edwin C.; Housecroft, Catherine E.; Kepert, Cameron J.; Neuburger, Markus; Price, David J.; Schaffner, Silvia; Zampese, Jennifer A.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 47
• Pages of publication: 6742 - 6751
• a: 11.0743 ± 0.0001 Å
• b: 14.7284 ± 0.0001 Å
• c: 15.5483 ± 0.0002 Å
• α: 77.6715 ± 0.0005°
• β: 88.2 ± 0.0005°
• γ: 68.6393 ± 0.0005°
• Cell volume: 2304.36 ± 0.04 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for all reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0356
• Weighted residual factors for all reflections included in the refinement: 0.0356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7004706
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No