Information card for entry 7003432

Structure parameters

• Formula: C62 H70 Cl N9 Na3 Ni4 O12
• Calculated formula: C62 H70 Cl N9 Na3 Ni4 O12
• SMILES: [Ni]12345[O]67([Ni]89%10%11[O]3[Ni]3%12%13%14[O]%152([Na]26([O]1Cc1[n]5cccc1)[O]15[Ni]6%16%17([O]2([Na]2%15([O]83([Na]71([O]9Cc1[n]%11cccc1)[O]62Cc1[n]%17cccc1)Cc1[n]%10cccc1)[O]%12Cc1[n]%14cccc1)Cc1[n]%16cccc1)[n]1c(C5)cccc1)Cc1[n]%13cccc1)Cc1[n]4cccc1.[Cl-].O1CCCC1.O1CCCC1
• Title of publication: Synthesis of nickel complexes with bidentate N,O-type ligands and application in the catalytic oligomerization of ethylene
• Authors of publication: Kermagoret, Anthony; Braunstein, Pierre
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 12
• Pages of publication: 1564 - 1573
• a: 29.892 ± 0.006 Å
• b: 29.892 ± 0.006 Å
• c: 16.945 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15141 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.1922
• Residual factor for significantly intense reflections: 0.0959
• Weighted residual factors for significantly intense reflections: 0.2201
• Weighted residual factors for all reflections included in the refinement: 0.2424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.222
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No