Crystallography Open Database

Information card for entry 7228054

Preview

Coordinates	7228054.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H5 O6 Yb
Calculated formula	C9 H5 O6 Yb
Title of publication	Structural variety in ytterbium dicarboxylate frameworks and in situ study diffraction of their solvothermal crystallisation
Authors of publication	Breeze, Matthew I.; Chamberlain, Thomas W.; Clarkson, Guy J.; de Camargo, Raíssa Pires; Wu, Yue; de Lima, Juliana Fonseca; Millange, Franck; Serra, Osvaldo A.; O'Hare, Dermot; Walton, Richard I.
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	17
Pages of publication	2424
a	10.56825 ± 0.00017 Å
b	12.66272 ± 0.00019 Å
c	6.6229 ± 0.00013 Å
α	90°
β	95.2274 ± 0.0017°
γ	90°
Cell volume	882.61 ± 0.03 Å³
Cell temperature	296 ± 3 K
Ambient diffraction temperature	296 ± 3 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0627
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1522
Weighted residual factors for all reflections included in the refinement	0.1554
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation probe	x-ray
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
196373 (current)	2017-05-06	cif/ Updating files of 7228053, 7228054, 7228055, 7228056 Original log message: Adding full bibliography for 7228053--7228056.cif.	7228054.cif
195337	2017-04-12	cif/ Adding structures of 7228053, 7228054, 7228055, 7228056 via cif-deposit CGI script.	7228054.cif