Information card for entry 7038639

Structure parameters

• Common name: 15091
• Formula: C70 H58 N4 Ni P4 Zr
• Calculated formula: C70 H58 N4 Ni P4 Zr
• SMILES: [Zr]1234([Ni]([P](c5ccccc5)(c5ccccc5)c5n2ccc5)([P](c2ccccc2)(c2n3ccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2n4ccc2)[P](c2ccccc2)(c2ccccc2)c2n1ccc2.c1ccccc1
• Title of publication: Structure and bonding of group 4-nickel heterobimetallics supported by 2-(diphenylphosphino)pyrrolide ligands.
• Authors of publication: Dunn, Peter L.; Carlson, Rebecca K.; Gagliardi, Laura; Tonks, Ian A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 24
• Pages of publication: 9892 - 9901
• a: 11.2579 ± 0.0005 Å
• b: 23.688 ± 0.0009 Å
• c: 22.6877 ± 0.0009 Å
• α: 90°
• β: 102.778 ± 0.001°
• γ: 90°
• Cell volume: 5900.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0309
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No