Crystallography Open Database

Information card for entry 4348690

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Coordinates	4348690.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H25 Cd N3 O5
Calculated formula	C36 H25 Cd N3 O5
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	14.8912 ± 0.0008 Å
b	35.3496 ± 0.0018 Å
c	18.1589 ± 0.0009 Å
α	90°
β	107.305 ± 0.001°
γ	90°
Cell volume	9126.1 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0277
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0617
Weighted residual factors for all reflections included in the refinement	0.0627
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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