Crystallography Open Database

Information card for entry 7700454

Preview

Coordinates	7700454.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H42 Cd3 N4 O16
Calculated formula	C46 H42 Cd3 N4 O16
Title of publication	[2 + 2] cycloaddition reaction and luminescent sensing of Fe<sup>3+</sup> and Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> ions by a cadmium-based coordination polymer.
Authors of publication	Zhu, Rong-Rong; Wang, Tao; Yan, Tong; Jia, Lei; Xue, Zhe; Zhou, Jie; Du, Lin; Zhao, Qi-Hua
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	32
Pages of publication	12159 - 12167
a	10.284 ± 0.002 Å
b	11.203 ± 0.002 Å
c	11.577 ± 0.002 Å
α	100.459 ± 0.003°
β	114.617 ± 0.003°
γ	91.162 ± 0.003°
Cell volume	1185.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 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	0.1042
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.0708
Weighted residual factors for all reflections included in the refinement	0.0843
Goodness-of-fit parameter for all reflections included in the refinement	0.923
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
223915 (current)	2019-11-07	cif/ Updating files of 7700453, 7700454 Original log message: Adding full bibliography for 7700453--7700454.cif.	7700454.cif
216765	2019-07-05	cif/ Adding structures of 7700453, 7700454 via cif-deposit CGI script.	7700454.cif