Crystallography Open Database

Information card for entry 1549852

Preview

Coordinates	1549852.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Dy-BPDC
Formula	C42 H24 Dy3 O20
Calculated formula	C42 H24 Dy3 O20
Title of publication	Near infrared excitation and emission in rare earth MOFs <i>via</i> encapsulation of organic dyes.
Authors of publication	Liu, Chong; Eliseeva, Svetlana V.; Luo, Tian-Yi; Muldoon, Patrick F.; Petoud, Stéphane; Rosi, Nathaniel L.
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	42
Pages of publication	8099 - 8102
a	27.5659 ± 0.0002 Å
b	27.5659 ± 0.0002 Å
c	27.5659 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	20946.7 ± 0.3 Å³
Cell temperature	240 ± 2 K
Ambient diffraction temperature	240 ± 2 K
Number of distinct elements	4
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.0633
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1854
Weighted residual factors for all reflections included in the refinement	0.1926
Goodness-of-fit parameter for all reflections included in the refinement	1.357
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228699 (current)	2019-11-17	cif/ Updating files of 1549850, 1549851, 1549852 Original log message: Adding full bibliography for 1549850--1549852.cif.	1549852.cif
210184	2018-08-28	cif/ Adding structures of 1549850, 1549851, 1549852 via cif-deposit CGI script.	1549852.cif