Information card for entry 4312107

Structure parameters

• Formula: C61 H80 Cl2 Cu2 K2 O18
• Calculated formula: C60 H78 Cu2 K2 O18
• SMILES: [Cu]12([O](c3ccccc3)[Cu]3([O](c4ccccc4)[K]45678([O]3c3ccccc3)[O]3CC[O]7CC[O]8CC[O]4CC[O]5CC[O]6CC3)[O]1c1ccccc1)[O](c1ccccc1)[K]13456([O]2c2ccccc2)[O]2CC[O]1CC[O]3CC[O]5CC[O]6CC[O]4CC2
• Title of publication: Homoleptic Cobalt and Copper Phenolate A2[M(OAr)4] Compounds: The Effect of Phenoxide Fluorination
• Authors of publication: Marisa C. Buzzeo; Amber H. Iqbal; Charli M. Long; David Millar; Sonal Patel; Matthew A. Pellow; Sahar A. Saddoughi; Abigail L. Smenton; John F. C. Turner; Jay D. Wadhawan; Richard G. Compton; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7709 - 7725
• a: 15.205 ± 0.005 Å
• b: 21.23 ± 0.008 Å
• c: 20.04 ± 0.007 Å
• α: 90°
• β: 91.224 ± 0.007°
• γ: 90°
• Cell volume: 6467 ± 4 ų
• Cell temperature: 218 ± 2 K
• Ambient diffraction temperature: 218 ± 2 K
• Number of distinct elements: 6
• 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: 0.0682
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No