Crystallography Open Database

Information card for entry 7228055

Preview

Coordinates	7228055.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H14 N O7.5 Yb
Calculated formula	C15 H14 N O7.5 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	18.295 ± 0.0004 Å
b	10.8482 ± 0.0002 Å
c	17.3984 ± 0.0004 Å
α	90°
β	101.395 ± 0.002°
γ	90°
Cell volume	3384.96 ± 0.13 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	0.0478
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.1042
Weighted residual factors for all reflections included in the refinement	0.1155
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	7228055.cif
195337	2017-04-12	cif/ Adding structures of 7228053, 7228054, 7228055, 7228056 via cif-deposit CGI script.	7228055.cif