Information card for entry 2211541

Structure parameters

• Chemical name: Bis[5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine-κ^2^N,N']bis(nitrato- κO)cadmium(II)
• Formula: C40 H28 Cd N10 O6
• Calculated formula: C40 H28 Cd N10 O6
• SMILES: c1[n]2c(ccc1)c1[n](nc(c(c3ccccc3)n1)c1ccccc1)[Cd]12([n]2ccccc2c2[n]1nc(c(c1ccccc1)n2)c1ccccc1)(ON(=O)=O)ON(=O)=O
• Title of publication: Bis[5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine-κ^2^<i>N</i>,<i>N</i>']bis(nitrato-κ<i>O</i>)cadmium(II)
• Authors of publication: Naser Eltaher Eltayeb; Siang Guan Teoh; Jeannie Bee-Jan Teh; Hoong-Kun Fun; Bohari M. Yamin; Kamarulazizi Ibrahim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3336 - m3337
• a: 15.8191 ± 0.0002 Å
• b: 8.4756 ± 0.0001 Å
• c: 26.8765 ± 0.0004 Å
• α: 90°
• β: 94.809 ± 0.001°
• γ: 90°
• Cell volume: 3590.82 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes