Crystallography Open Database

Information card for entry 4345252

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Coordinates	4345252.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H31 Cd2 N3 O11 S2
Calculated formula	C51 H31 Cd2 N3 O11 S2
Title of publication	Exploring the Detection of Metal Ions by Tailoring the Coordination Mode of V-Shaped Thienylpyridyl Ligand in Three MOFs.
Authors of publication	Han, Li-Juan; Yan, Wei; Chen, Shu-Guang; Shi, Zhen-Zhen; Zheng, He-Gen
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	5
Pages of publication	2936 - 2940
a	8.618 Å
b	14.553 Å
c	20.335 Å
α	87.44°
β	82.87°
γ	74.92°
Cell volume	2443.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0859
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1365
Weighted residual factors for all reflections included in the refinement	0.1467
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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