Crystallography Open Database

Information card for entry 7119312

7119311 << 7119312 >> 7119313

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Coordinates	7119312.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C244 H171 Cd8 N88 O28
Calculated formula	C244 H171 Cd8 N88 O28
Title of publication	Guest-induced SC-SC transformation within the first K/Cd heterodimetallic triazole complex: a luminescent sensor for high-explosives and cyano molecules.
Authors of publication	Wang, Ying; Jia, Wei; Chen, Ran; Zhao, Xiao-Jun; Wang, Zhong-Liang
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	53
Journal issue	3
Pages of publication	636 - 639
a	20.477 ± 0.004 Å
b	23.839 ± 0.005 Å
c	17.521 ± 0.004 Å
α	90°
β	111.11 ± 0.03°
γ	90°
Cell volume	7979 ± 3 Å³
Cell temperature	113.15 K
Ambient diffraction temperature	113.15 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1166
Residual factor for significantly intense reflections	0.1001
Weighted residual factors for significantly intense reflections	0.2656
Weighted residual factors for all reflections included in the refinement	0.2835
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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