Information card for entry 2223901

Structure parameters

• Chemical name: Di-μ-nitrito- κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>- bis{[2,6-bis(pyrazol-1-yl-κ<i>N</i>^2^)pyridine-κ<i>N</i>](nitrito- κ^2^<i>O</i>,<i>O</i>')cadmium(II)}
• Formula: C22 H18 Cd2 N14 O8
• Calculated formula: C22 H18 Cd2 N14 O8
• SMILES: c1ccn2c3cccc4[n]3[Cd]356([n]12)([n]1n4ccc1)([O]=N[O]3[Cd]1234([n]7cccn7c7cccc([n]17)n1ccc[n]21)([O]=N[O]53)ON=[O]4)ON=[O]6
• Title of publication: Di-μ-nitrito-κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>-bis{[2,6-bis(pyrazol-1-yl-κ<i>N</i>^2^)pyridine-κ<i>N</i>](nitrito-κ^2^<i>O</i>,<i>O</i>')cadmium(II)}
• Authors of publication: Sun, Ting Ting; Meng, Lin; Shi, Jing Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1318
• a: 7.7618 ± 0.0013 Å
• b: 9.5522 ± 0.0016 Å
• c: 10.9665 ± 0.0019 Å
• α: 110.285 ± 0.002°
• β: 90.616 ± 0.002°
• γ: 112.155 ± 0.002°
• Cell volume: 696.9 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0312
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes