Crystallography Open Database

Information card for entry 4307147

Preview

Coordinates	4307147.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Er(BTC)(DMF)2 (H2O)
Formula	C15 H19 Er N2 O9
Calculated formula	C15 H17 Er N2 O9
Title of publication	Synthesis, Structure, and Luminescent and Magnetic Properties of Novel Lanthanide Metal-Organic Frameworks with Zeolite-like Topology
Authors of publication	Zhongyue Li; Guangshan Zhu; Xiaodan Guo; Xiaojun Zhao; Zhao Jin; Shilun Qiu
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	5174 - 5178
a	18.4014 ± 0.001 Å
b	11.6492 ± 0.001 Å
c	19.6803 ± 0.0013 Å
α	90°
β	106.979 ± 0.002°
γ	90°
Cell volume	4034.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0602
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.1211
Weighted residual factors for all reflections included in the refinement	0.1287
Goodness-of-fit parameter for all reflections included in the refinement	0.943
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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