Information card for entry 2016679

Structure parameters

• Chemical name: 4,4'-(<i>p</i>-phenylene)bipyridazine
• Formula: C14 H10 N4
• Calculated formula: C14 H10 N4
• SMILES: n1ccc(cn1)c1ccc(cc1)c1ccnnc1
• Title of publication: Copper(II) bromide and copper(II) acetate complexes of 4,4'-(<i>p</i>-phenylene)bipyridazine
• Authors of publication: Degtyarenko, Anna S.; Solntsev, Pavlo V.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m254 - m258
• a: 6.3588 ± 0.0007 Å
• b: 6.9307 ± 0.0009 Å
• c: 7.0681 ± 0.001 Å
• α: 110.282 ± 0.003°
• β: 90.823 ± 0.003°
• γ: 106.585 ± 0.002°
• Cell volume: 277.8 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes