Information card for entry 4337700

Structure parameters

• Formula: C30.5 H24 Cl F12 N10 Ni3 O4 P2
• Calculated formula: C30.5 H24 Cl F12 N10 Ni3 O4 P2
• SMILES: [Ni]12([n]3ccccc3c3[n]1cccc3)O[N](=[N]([Ni]1([n]3c(c4[n]1cccc4)cccc3)N=O)O2)[Ni]1([n]2c(c3[n]1cccc3)cccc2)N=O.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Mechanistic Insights into the Formation of N2O by a Nickel Nitrosyl Complex.
• Authors of publication: Wright, Ashley M.; Zaman, Homaira T.; Wu, Guang; Hayton, Trevor W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 3108 - 3116
• a: 10.837 ± 0.003 Å
• b: 16.351 ± 0.005 Å
• c: 23.731 ± 0.006 Å
• α: 70.639 ± 0.007°
• β: 88.309 ± 0.007°
• γ: 86.922 ± 0.006°
• Cell volume: 3961.2 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1705
• Residual factor for significantly intense reflections: 0.0982
• Weighted residual factors for significantly intense reflections: 0.2305
• Weighted residual factors for all reflections included in the refinement: 0.2573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No