Crystallography Open Database

Information card for entry 1565980

Preview

Coordinates	1565980.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H62 Ca4 F8 O19
Calculated formula	C108 H62 Ca4 F8 O19
Title of publication	Achieving a blue-excitable yellow-emitting Ca-LMOF phosphor via water induced phase transformation
Authors of publication	Wu, Zhao-Feng; Tan, Bin; Fu, Zhi-Hua; Velasco, Ever; Liu, Xing-Wu; Teat, Simon J.; Zhu, Kun; Xing, Kai; Huang, Xiao-Ying; Li, Jing
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	5
Pages of publication	1375 - 1381
a	10.0419 ± 0.0005 Å
b	15.6393 ± 0.0007 Å
c	42.1081 ± 0.0019 Å
α	92.477 ± 0.002°
β	91.364 ± 0.002°
γ	91.427 ± 0.002°
Cell volume	6602.7 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0794
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1666
Weighted residual factors for all reflections included in the refinement	0.1759
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.7288 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
272573 (current)	2022-02-04	cif/ Updating files of 1565980 Original log message: Adding full bibliography for 1565980.cif.	1565980.cif
272028	2022-01-14	cif/ Adding structures of 1565980 via cif-deposit CGI script.	1565980.cif