Information card for entry 7236237

Structure parameters

• Formula: C42 H47 Cu4 N5 O12
• Calculated formula: C42 H47 Cu4 N5 O12
• Title of publication: Catecholase and phenoxazinone synthase activities of a ferromagnetically coupled tetranuclear Cu(ii) complex
• Authors of publication: Mitra, Merry; Kundu, Tanay; Kaur, Gurpreet; Sharma, Gyaneswar; Choudhury, Angshuman Roy; Singh, Yogesh; Ghosh, Rajarshi
• Journal of publication: RSC Advances
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 63
• Pages of publication: 58831
• a: 11.9179 ± 0.0014 Å
• b: 12.1517 ± 0.0014 Å
• c: 15.1464 ± 0.0018 Å
• α: 102.667 ± 0.002°
• β: 92.928 ± 0.002°
• γ: 100.128 ± 0.001°
• Cell volume: 2097.6 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No