Crystallography Open Database

Information card for entry 7239556

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Coordinates	7239556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C402 H338 Cd17 N2 O116
Calculated formula	C401.94 H337.86 Cd17 N1.98 O115.98
Title of publication	A luminescent metal‒organic framework demonstrating ideal detection ability for nitroaromatic explosives
Authors of publication	Tian, Dan; Li, Yue; Chen, Rong-Ying; Chang, Ze; Wang, Guan-Yao; Bu, Xian-He
Journal of publication	J. Mater. Chem. A
Year of publication	2014
Journal volume	2
Journal issue	5
Pages of publication	1465
a	25.7369 ± 0.0005 Å
b	25.7369 ± 0.0005 Å
c	61.601 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	35337.1 ± 1.5 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.0539
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1254
Weighted residual factors for all reflections included in the refinement	0.1278
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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