Information card for entry 2210545

Structure parameters

• Chemical name: Azido{2-bromo-4-chloro-6-[2-(diethylamino)ethyliminomethyl]phenolato}nickel(II)
• Formula: C13 H17 Br Cl N5 Ni O
• Calculated formula: C13 H17 Br Cl N5 Ni O
• SMILES: [Ni]12([N](=Cc3c(O1)c(Br)cc(Cl)c3)CC[N]2(CC)CC)N=N#N
• Title of publication: Azido{2-bromo-4-chloro-6-[2-(diethylamino)ethyliminomethyl]phenolato}nickel(II)
• Authors of publication: Chun-Bao Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2629 - m2630
• a: 16.306 ± 0.002 Å
• b: 9.934 ± 0.001 Å
• c: 10.148 ± 0.002 Å
• α: 90°
• β: 95.17 ± 0.002°
• γ: 90°
• Cell volume: 1637.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.0717
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes