Information card for entry 7003283

Structure parameters

• Common name: 07006a
• Formula: C78 H102 F12 N12 Ni2 O2 P2
• Calculated formula: C78 H102 F12 N12 Ni2 O2 P2
• SMILES: c1(c(cccc1C(C)C)C(C)C)N1C2N(C=C1)Cc1n3[n]4c(c1)CN1C(N(C=C1)c1c(cccc1C(C)C)C(C)C)=[Ni]14=C4N(c5c(cccc5C(C)C)C(C)C)C=CN4Cc4n1[n]1[Ni]=23=C2N(Cc1c4)C=CN2c1c(cccc1C(C)C)C(C)C.[P](F)(F)(F)(F)(F)[F-].O1CCCC1.[P](F)(F)(F)(F)(F)[F-].O1CCCC1
• Title of publication: New bimetallic complexes of late transition metals involving pyrazole-bridged bis N-heterocyclic carbene ligands
• Authors of publication: Jeon, Sang-Jin; Waymouth, Robert M.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 4
• Pages of publication: 437 - 439
• a: 20.8499 ± 0.0018 Å
• b: 17.6914 ± 0.0015 Å
• c: 23.633 ± 0.002 Å
• α: 90°
• β: 114.251 ± 0.001°
• γ: 90°
• Cell volume: 7948.1 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No