Crystallography Open Database

Information card for entry 7045423

Preview

Coordinates	7045423.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 O10
Calculated formula	C16 H12 O10
SMILES	O=C(O)c1cc(C(=O)O)cc(Oc2cc(cc(c2)C(=O)O)C(=O)O)c1.O
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	7.7677 ± 0.0007 Å
b	8.5957 ± 0.0006 Å
c	12.8044 ± 0.001 Å
α	73.373 ± 0.007°
β	72.777 ± 0.008°
γ	70.317 ± 0.007°
Cell volume	752.19 ± 0.11 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0481
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.1058
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	7045423.cif
205771	2018-01-27	cif/ Adding structures of 7045418, 7045419, 7045420, 7045421, 7045422, 7045423 via cif-deposit CGI script.	7045423.cif