Information card for entry 2234985

Structure parameters

• Chemical name: Di-μ-glutarato-κ^4^<i>O</i>^1^:<i>O</i>^5^- bis{aqua[5,6-diphenyl-3-(pyridin-2-yl)-1,2,4-triazine- κ^2^<i>N</i>^2^,<i>N</i>^3^]copper(II)}
• Formula: C50 H44 Cu2 N8 O10
• Calculated formula: C50 H44 Cu2 N8 O10
• SMILES: [n]12c(c3[n]([Cu]451(OC(=[O]4)CCCC(=O)O[Cu]14([n]6nc(c7ccccc7)c(nc6c6cccc[n]16)c1ccccc1)(OC(=[O]4)CCCC(=O)O5)[OH2])[OH2])cccc3)nc(c1ccccc1)c(n2)c1ccccc1
• Title of publication: Di-μ-glutarato-κ^4^<i>O</i>^1^:<i>O</i>^5^-bis{aqua[5,6-diphenyl-3-(pyridin-2-yl)-1,2,4-triazine-κ^2^<i>N</i>^2^,<i>N</i>^3^]copper(II)}
• Authors of publication: Xu, Wei; Feng, Lan-Jing-Qian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m797
• a: 9.4297 ± 0.0019 Å
• b: 10.429 ± 0.002 Å
• c: 12.471 ± 0.003 Å
• α: 81.37 ± 0.03°
• β: 71 ± 0.03°
• γ: 79.83 ± 0.03°
• Cell volume: 1135.7 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.0856
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes