Information card for entry 8106465

Structure parameters

• Chemical name: trans-Dibromido(1,4,8,11-tetraazacyclotetradecane)nickel(II)
• Formula: C10 H24 Br2 N4 Ni
• Calculated formula: C10 H24 Br2 N4 Ni
• Title of publication: Crystal structure of trans-dibromido(1,4,8,11-tetraazacyclotetradecane)nickel(II), C10H24Br2N4Ni
• Authors of publication: Ha, Kwang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 1
• Pages of publication: 153 - 154
• a: 6.9551 ± 0.0004 Å
• b: 12.6275 ± 0.0007 Å
• c: 8.7343 ± 0.0004 Å
• α: 90°
• β: 109.117 ± 0.0018°
• γ: 90°
• Cell volume: 724.79 ± 0.07 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0318
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections included in the refinement: 0.0439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No