Information card for entry 2234944

Structure parameters

• Chemical name: Dibromido(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc
• Formula: C14 H12 Br2 N2 Zn
• Calculated formula: C14 H12 Br2 N2 Zn
• SMILES: [Zn]1(Br)(Br)[n]2c(C)ccc3c2c2[n]1c(ccc2cc3)C
• Title of publication: Dibromido(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc
• Authors of publication: Dehghani, Ali; M. Amini, Mostafa; Najafi, Ezzatollah; Tadjarodi, Azadeh; Notash, Behrouz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m811
• a: 9.4113 ± 0.0019 Å
• b: 18.424 ± 0.004 Å
• c: 9.3362 ± 0.0019 Å
• α: 90°
• β: 112.59 ± 0.03°
• γ: 90°
• Cell volume: 1494.6 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes