Information card for entry 4315735

Structure parameters

• Formula: C24 H44 Cr2 N10 O8 S4 Zn2
• Calculated formula: C24 H44 Cr2 N10 O8 S4 Zn2
• SMILES: C(CO)[NH]1[Cr]2345[O]6[Zn](N=C=S)(N=C=S)[O]7CC[NH](CCO)[Cr]897([NH](CC[O]48)CC[O]9[Zn](N=C=S)(N=C=S)[O]5CC1)[O]3CC[NH]2CC6.N#CC.N#CC
• Title of publication: CrIII-CrIII Interactions in Two Alkoxo-Bridged Heterometallic Zn2Cr2 Complexes Self-Assembled from Zinc Oxide, Reinecke's Salt, and Diethanolamine
• Authors of publication: Valentyna V. Semenaka; Oksana V. Nesterova; Volodymyr N. Kokozay; Viktoriya V. Dyakonenko; Roman I. Zubatyuk; Oleg V. Shishkin; Roman Boča; Julia Jezierska; Andrew Ozarowski
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5460 - 5471
• a: 9.8241 ± 0.0002 Å
• b: 18.1965 ± 0.0004 Å
• c: 11.8072 ± 0.0003 Å
• α: 90°
• β: 107.346 ± 0.003°
• γ: 90°
• Cell volume: 2014.71 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0697
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No