Information card for entry 1514826

Structure parameters

• Common name: complex13
• Formula: C55 H74 B N7 Ni O5 Zn
• Calculated formula: C55 H71 B N7 Ni O5 Zn
• SMILES: [Zn]123(O[N]4[Ni]56[N](C=C[N]5=C5C(=[N]6O1)C(OC5(C)C)(C)C)=C1C=4C(OC1(C)C)(C)C)([N]1(C)CC[N]3(CC[N]2(CC1)C)C)[O]1CCCC1.c1([B-](c2ccccc2)(c2ccccc2)c2ccccc2)ccccc1
• Title of publication: Access to formally Ni(i) states in a heterobimetallic NiZn system
• Authors of publication: Uyeda, Christopher; Peters, Jonas C.
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 157
• a: 17.2117 ± 0.0013 Å
• b: 12.9449 ± 0.001 Å
• c: 24.7109 ± 0.0017 Å
• α: 90°
• β: 101.43 ± 0.003°
• γ: 90°
• Cell volume: 5396.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1534
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.1929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No