Crystallography Open Database

Information card for entry 1556995

Preview

Coordinates	1556995.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	LMOF-231-F0.2; Zn2(tcbpe)0.8(tcbpe-F)0.2
Chemical name	LMOF-305
Formula	C54 H31.2 F0.8 O8 Zn2
Calculated formula	C54 H31.2 F0.8 O8 Zn2
Title of publication	Rational design of a high-efficiency, multivariate metal‒organic framework phosphor for white LED bulbs
Authors of publication	Lustig, William P.; Shen, Zeqing; Teat, Simon J.; Javed, Nasir; Velasco, Ever; O'Carroll, Deirdre M.; Li, Jing
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	7
Pages of publication	1814 - 1824
a	37.1066 ± 0.0017 Å
b	31.0733 ± 0.0015 Å
c	11.8903 ± 0.0006 Å
α	90°
β	99.208 ± 0.002°
γ	90°
Cell volume	13533.1 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1128
Residual factor for significantly intense reflections	0.0807
Weighted residual factors for significantly intense reflections	0.2374
Weighted residual factors for all reflections included in the refinement	0.2512
Goodness-of-fit parameter for all reflections included in the refinement	1.24
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257363 (current)	2020-10-06	cif/ Updating files of 1556995 Original log message: Adding full bibliography for 1556995.cif.	1556995.cif
248895	2020-03-05	cif/ Updating files of 1556995 Original log message: Adding full bibliography for 1556995.cif.	1556995.cif
246722	2020-01-11	cif/ Adding structures of 1556995 via cif-deposit CGI script.	1556995.cif