Information card for entry 7055504

Structure parameters

• Common name: di-(μ~2~-2,6-diacetylpyridine bis(3-chloropyridazine-6-hydrazonato))- μ~2~-peroxido-di-cobalt(III)) tetrahydrate
• Chemical name: di-(μ~2~-2,6-diacetylpyridine bis(3-chloropyridazine-6-hydrazonato))- μ~2~-peroxido-di-cobalt(III)) tetrahydrate
• Formula: C34 H34 Cl4 Co2 N18 O6
• Calculated formula: C34 H26 Cl4 Co2 N18 O6
• SMILES: c12cccc3[n]1[Co]145(OO[Co]678([n]9c(cccc9C(C)=[N]6Nc6ccc(n[n]76)Cl)C(C)=[N]4Nc4ccc(n[n]54)Cl)[N](=C2C)Nc2ccc(n[n]82)Cl)[N](=C3C)Nc2[n]1nc(cc2)Cl.O.O.O.O
• Title of publication: Coordination compounds of a hydrazone derivative with Co(iii), Ni(ii), Cu(ii) and Zn(ii): synthesis, characterization, reactivity assessment and biological evaluation
• Authors of publication: Barta Holló, B.; Magyari, J.; Armaković, S.; Bogdanović, G. A.; Rodić, M. V.; Armaković, S. J.; Molnár, J.; Spengler, G.; Leovac, V. M.; Mészáros Szécsényi, K.
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 7
• Pages of publication: 5885
• a: 12.7108 ± 0.0004 Å
• b: 22.8673 ± 0.0005 Å
• c: 14.7326 ± 0.0003 Å
• α: 90°
• β: 94.369 ± 0.002°
• γ: 90°
• Cell volume: 4269.76 ± 0.19 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No