Information card for entry 2233639

Structure parameters

• Chemical name: Bis{μ-2-[(4,6-bis{(2-hydroxy-5-methylphenyl)[(pyridin-2-yl)methyl]amino}- 1,3,5-triazin-2-yl)[(pyridin-2-yl-κ<i>N</i>)methyl]amino-κ<i>N</i>]-4- methylphenolato-1:2κ^2^<i>O</i>}bis[(nitrato-\ κ^2^<i>O</i>,<i>O</i>')zinc]‒acetonitrile‒water (2/4/1)
• Formula: C88 H83 N22 O12.5 Zn2
• Calculated formula: C88 H83 N22 O12.5 Zn2
• Title of publication: Bis{μ-2-[(4,6-bis{(2-hydroxy-5-methylphenyl)[(pyridin-2-yl)methyl]amino}-1,3,5-triazin-2-yl)[(pyridin-2-yl-κ<i>N</i>)methyl]amino-κ<i>N</i>]-4-methylphenolato-1:2κ^2^<i>O</i>:<i>O</i>}bis[(nitrato-κ^2^<i>O</i>,<i>O</i>')zinc]‒acetonitrile‒water (2/4/1)
• Authors of publication: Maheswari, Palanisami Uma; Teat, Simon J.; Roubeau, Olivier; Reedijk, Jan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m194 - m195
• a: 31.154 ± 0.003 Å
• b: 15.3768 ± 0.0013 Å
• c: 18.006 ± 0.0016 Å
• α: 90°
• β: 100.253 ± 0.002°
• γ: 90°
• Cell volume: 8488 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0496
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.6894 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes