Crystallography Open Database

Information card for entry 4507067

Preview

Coordinates	4507067.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H31 Cd2 N4 O16 S2
Calculated formula	C46 H31 Cd2 N4 O16 S2
Title of publication	Structural Diversity and Properties of Six 2D or 3D Metal‒Organic Frameworks Based on Thiophene-Containing Ligand
Authors of publication	Qin, Ling; Li, Yizhi; Guo, Zijian; Zheng, Hegen
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	11
Pages of publication	5783
a	10.3359 ± 0.0009 Å
b	10.9742 ± 0.001 Å
c	13.6908 ± 0.0012 Å
α	91.612 ± 0.001°
β	111.91 ± 0.001°
γ	107.339 ± 0.001°
Cell volume	1358.2 ± 0.2 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	0.0544
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1246
Weighted residual factors for all reflections included in the refinement	0.1287
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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