Crystallography Open Database





Information card for 7015459

7015458 << 7015459 >> 7015460

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Coordinates

7015459.cif

Structure parameters

Formula - C49 H47 Cl11 N6 O12 Zn -
Calculated formula - C49 H47 Cl11 N6 O12 Zn -
Title of publication Methoxy-substituted isoTQEN family for enhanced fluorescence response toward zinc ion.
Authors of publication Mikata, Yuji; Yamashita, Azusa; Kawata, Keiko; Konno, Hideo; Itami, Saori; Yasuda, Keiko; Tamotsu, Satoshi
Journal of publication Dalton transactions (Cambridge, England : 2003)
Year of publication 2011
Journal volume 40
Journal issue 16
Pages of publication 4059 - 4066
a 11.126 ± 0.003 Å
b 14.949 ± 0.004 Å
c 18.944 ± 0.005 Å
α 67.746 ± 0.007°
β 89.809 ± 0.01°
γ 82.927 ± 0.009°
Cell volume 2890.7 ± 1.3 Å3
Cell temperature 203 ± 2 K
Ambient diffraction temperature 203 ± 2 K
Number of distinct elements 6
Hermann-Mauguin symmetry space group P -1
Hall symmetry space group -P 1
Residual factor for all reflections 0.0627
Residual factor for observed reflections 0.0499
Weighted residual factors for the observed reflections 0.1204
Weighted residual factors for all reflections included in the refinement 0.1322
Goodness-of-fit parameter for observed reflections 1.117
Diffraction radiation wavelength 0.7107 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder No
Has Fobs No

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