Information card for entry 4511954

Structure parameters

• Formula: C102 H55 Cl N66 O6 Zn8
• Calculated formula: C102 H55 Cl N66 O6 Zn8
• SMILES: [Zn]123n4[n]5[Zn]678[n]9n%10[Zn]%11%12[n]%13c(c%10nc9c9nccnc9)cccc%13c9nn([Zn]%10%13%14[O]%15[Zn]%16%17([n]%18n1c(nc%18c1[n]%17c(c%17n%16[n]%16[Zn]%18%19([n]%20ccncc%20c%16n%17)([n]%16[n]%17[Zn]%20%21%15n%15[n]([Zn]%22%23([n]%24c(c%25[n]%23n%21c(n%25)c%21nccnc%21)cccc%24c%21n%22[n]7c(n%21)c7[n]6ccnc7)[O]3%12)c(nc%15c3[n]%20c(c%17[nH]c%16c6[n]%18ccnc6)ccc3)c3nccnc3)[n]3n%10c(nc3c3[n]%19ccnc3)c3[n]%13c(ccc3)c3n%14[n]%11c(n3)c3nccnc3)ccc1)c1nccnc1)n1c(nc(c3[n]2c(c4nc5c2[n]8ccnc2)ccc3)n1)c1nccnc1)c(n9)c1nccnc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: A Series of d10Metal Clusters Constructed by 2,6-Bis[3-(pyrazin-2-yl)-1,2,4-triazolyl]pyridine: Crystal Structures and Unusual Luminescences
• Authors of publication: Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Gai, Yan-Li; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Mao-Chun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 5011
• a: 14.2829 ± 0.0003 Å
• b: 18.2078 ± 0.0004 Å
• c: 23.5984 ± 0.0005 Å
• α: 110.89 ± 0.002°
• β: 97.618 ± 0.002°
• γ: 99.347 ± 0.002°
• Cell volume: 5535.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No