Crystallography Open Database

Information card for entry 7202397

7202396 << 7202397 >> 7202398

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Coordinates	7202397.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22.55 N4 O6.255 S Zn
Calculated formula	C28 H22 N4 O6.255 S Zn
Title of publication	Two zinc(II) supramolecular isomers of square grid networks formed by two flexible ligands: syntheses, structures and nonlinear optical properties
Authors of publication	Liu, Guang-Xiang; Zhu, Kun; Chen, Hong; Huang, Rong-Yi; Ren, Xiao-Ming
Journal of publication	CrystEngComm
Year of publication	2008
Journal volume	10
Journal issue	11
Pages of publication	1527
a	28.635 ± 0.003 Å
b	11.1436 ± 0.0012 Å
c	17.0423 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	5438.1 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0881
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.0936
Weighted residual factors for all reflections included in the refinement	0.1044
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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