Crystallography Open Database

Information card for entry 7224529

Preview

Coordinates	7224529.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H7 Cl0.5 Er0.33 N0.5 O3
Calculated formula	C7 H7 Cl0.5 Er0.333333 N0.5 O3
Title of publication	Multifunctional chemical sensors and luminescent thermometers based on lanthanide metal‒organic framework materials
Authors of publication	Wang, Kai-Min; Du, Lin; Ma, Yu-Lu; Zhao, Jing-Song; Wang, Quan; Yan, Tong; Zhao, Qi-Hua
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	15
Pages of publication	2690
a	27.8574 ± 0.0012 Å
b	27.8574 ± 0.0012 Å
c	27.8574 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	21618.3 ± 1.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	210
Hermann-Mauguin space group symbol	F 41 3 2
Hall space group symbol	F 4d 2 3
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1253
Weighted residual factors for all reflections included in the refinement	0.1277
Goodness-of-fit parameter for all reflections included in the refinement	1.169
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
182638 (current)	2016-05-06	cif/ Updating files of 7224527, 7224528, 7224529, 7224530, 7224531 Original log message: Adding full bibliography for 7224527--7224531.cif.	7224529.cif
178007	2016-03-08	cif/ Adding structures of 7224527, 7224528, 7224529, 7224530, 7224531 via cif-deposit CGI script.	7224529.cif