Crystallography Open Database

Information card for entry 4348689

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Coordinates	4348689.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H26 Cd N4 O4
Calculated formula	C36 H26 Cd N4 O4
Title of publication	H-Bonding Interactions Induced Two Isostructural Cd(II) Metal-Organic Frameworks Showing Different Selective Detection of Nitroaromatic Explosives.
Authors of publication	Wang, Zhong-Jie; Qin, Ling; Chen, Jin-Xi; Zheng, He-Gen
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	21
Pages of publication	10999 - 11005
a	15.0037 ± 0.0008 Å
b	35.8043 ± 0.0019 Å
c	18.2681 ± 0.001 Å
α	90°
β	110.125 ± 0.001°
γ	90°
Cell volume	9214.4 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0395
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0891
Weighted residual factors for all reflections included in the refinement	0.0915
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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