Information card for entry 7701991

Structure parameters

• Formula: C84 H126 N2 Na2 Ni2 O8 P2
• Calculated formula: C84 H126 N2 Na2 Ni2 O8 P2
• SMILES: [Ni]12([P](C=C(N1c1c(cccc1C(C)C)C(C)C)c1ccccc1)(C(C)C)C(C)C)[OH][Na]([O]1CCCC1)([O](CC)CC)[O]=C(c1ccc([Ni]3([P](C=C(N3c3c(cccc3C(C)C)C(C)C)c3ccccc3)(C(C)C)C(C)C)[OH][Na]([O]=C(c3ccc2cc3)C)([O]2CCCC2)[O](CC)CC)cc1)C
• Title of publication: Neutral, cationic and anionic organonickel and -palladium complexes supported by iminophosphine/phosphinoenaminato ligands.
• Authors of publication: Santiago, Tomás G; Urbaneja, Carmen; Álvarez, Eleuterio; Ávila, Elena; Palma, Pilar; Cámpora, Juan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 2
• Pages of publication: 322 - 335
• a: 11.604 ± 0.006 Å
• b: 12.092 ± 0.007 Å
• c: 18.006 ± 0.01 Å
• α: 82.74 ± 0.03°
• β: 75.53 ± 0.02°
• γ: 64.7 ± 0.03°
• Cell volume: 2211 ± 2 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No