Crystallography Open Database

Information card for entry 1550670

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Coordinates	1550670.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H11 Cd N O5
Calculated formula	C14 H11 Cd N O5
Title of publication	Constructing New Metal-Organic Frameworks with Complicated Ligands Generated from “One-Pot” In Situ Reactions
Authors of publication	Kong, Xiang-Jing; He, Tao; Zhang, Yongzheng; Wu, Xue-Qian; Wang, Si-Nan; Xu, Ming-Ming; Si, Guang-Rui; Li, Jian-Rong Jeff
Journal of publication	Chemical Science
Year of publication	2019
a	7.6897 ± 0.0003 Å
b	8.7992 ± 0.0003 Å
c	12.7198 ± 0.0004 Å
α	87.203 ± 0.003°
β	74.302 ± 0.003°
γ	76.159 ± 0.003°
Cell volume	804.39 ± 0.05 Å³
Cell temperature	292.5 ± 0.4 K
Ambient diffraction temperature	292.5 ± 0.4 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0356
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0836
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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