Crystallography Open Database

Information card for entry 7054963

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Coordinates	7054963.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H30 N6 O9 S2 Zn2
Calculated formula	C42 H30 N6 O9 S2 Zn2
Title of publication	Structural diversification and photocatalytic properties of zinc(ii) polymers modified by auxiliary N-containing ligands
Authors of publication	Yin, Wen-Yu; Huang, Zuo-Long; Tang, Xiao-Yan; Wang, Jun; Cheng, Hong-Jian; Ma, Yun-Sheng; Yuan, Rong-Xin; Liu, Dong
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	9
Pages of publication	7130
a	13.7313 ± 0.0019 Å
b	10.4349 ± 0.0014 Å
c	18.476 ± 0.0019 Å
α	90°
β	130.704 ± 0.007°
γ	90°
Cell volume	2006.9 ± 0.5 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0799
Residual factor for significantly intense reflections	0.0702
Weighted residual factors for significantly intense reflections	0.1795
Weighted residual factors for all reflections included in the refinement	0.1874
Goodness-of-fit parameter for all reflections included in the refinement	1.166
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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