Information card for entry 7020108

Structure parameters

• Common name: bis-(Triethylphosphine)dinitro-nickel(II)
• Formula: C12 H30 N2 Ni O4 P2
• Calculated formula: C12 H30 N1.998 Ni O3.996 P2
• Title of publication: Photoactivated linkage isomerism in single crystals of nickel, palladium and platinum di-nitro complexes - a photocrystallographic investigation.
• Authors of publication: Warren, Mark R.; Brayshaw, Simon K.; Hatcher, Lauren E.; Johnson, Andrew L.; Schiffers, Stefanie; Warren, Anna J.; Teat, Simon J.; Warren, John E.; Woodall, Christopher H.; Raithby, Paul R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 42
• Pages of publication: 13173 - 13179
• a: 7.89 ± 0.004 Å
• b: 7.787 ± 0.003 Å
• c: 15.251 ± 0.006 Å
• α: 90°
• β: 94.82 ± 0.02°
• γ: 90°
• Cell volume: 933.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0327
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.6945 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No