Information card for entry 7038126

Structure parameters

• Formula: C26 H35 Hf I2 N2 P Si2
• Calculated formula: C26 H35 Hf I2 N2 P Si2
• SMILES: I[Hf]12(I)[P](Cc3c(N1[Si](C)(C)C)cccc3)(Cc1c(N2[Si](C)(C)C)cccc1)c1ccccc1
• Title of publication: Diamidophosphines with six-membered chelates and their coordination chemistry with group 4 metals: development of a trimethylene-methane-tethered [PN2]-type "molecular claw".
• Authors of publication: Batke, S.; Kothe, T.; Haas, M.; Wadepohl, H.; Ballmann, J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3528 - 3540
• a: 11.107 ± 0.004 Å
• b: 19.914 ± 0.008 Å
• c: 14.621 ± 0.006 Å
• α: 90°
• β: 102.102 ± 0.01°
• γ: 90°
• Cell volume: 3162 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0204
• Residual factor for significantly intense reflections: 0.0173
• Weighted residual factors for significantly intense reflections: 0.0394
• Weighted residual factors for all reflections included in the refinement: 0.0405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No