Crystallography Open Database

Information card for entry 7045422

Preview

Coordinates	7045422.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H13 O12 Tb
Calculated formula	C16 H11 O12 Tb
Title of publication	The effect of metal distribution on the luminescence properties of mixed-lanthanide metal-organic frameworks.
Authors of publication	Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	7
Pages of publication	2360 - 2367
a	9.8243 ± 0.0002 Å
b	12.735 ± 0.0003 Å
c	13.9772 ± 0.0003 Å
α	90°
β	93.814 ± 0.0019°
γ	90°
Cell volume	1744.85 ± 0.07 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0789
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	1.143
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
229792 (current)	2019-11-17	cif/ Updating files of 7045418, 7045419, 7045420, 7045421, 7045422, 7045423 Original log message: Adding full bibliography for 7045418--7045423.cif.	7045422.cif
205771	2018-01-27	cif/ Adding structures of 7045418, 7045419, 7045420, 7045421, 7045422, 7045423 via cif-deposit CGI script.	7045422.cif