Information card for entry 7024470

Structure parameters

• Formula: C24 H20 Mn N6 O2
• Calculated formula: C24 H20 Mn N6 O2
• SMILES: c1cccc2[n]1[Mn]134([N](=Cc5ccccc5O3)N2)[n]2ccccc2N[N]1=Cc1ccccc1O4
• Title of publication: Manganese(III)-mediated cyclodimerization of a hydrazinyl derivative generating an unprecedented 1,2,3,5,6-substituted leuco-verdazyl ring.
• Authors of publication: Tang, Jinkui; Nayak, Sanjit; Costa, José Sánchez; Robertazzi, Arturo; Pievo, Roberta; Mutikainen, Ilpo; Roubeau, Olivier; Teat, Simon J.; Gamez, Patrick; Reedijk, Jan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 5
• Pages of publication: 1361 - 1365
• a: 20.661 ± 0.002 Å
• b: 8.9103 ± 0.001 Å
• c: 11.155 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2053.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No