Crystallography Open Database

Information card for entry 7228056

Preview

Coordinates	7228056.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 N O9 Yb
Calculated formula	C21 H20 N O9 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	8.4515 ± 0.0002 Å
b	12.3972 ± 0.0004 Å
c	12.568 ± 0.0003 Å
α	110.453 ± 0.002°
β	102.132 ± 0.002°
γ	109.619 ± 0.003°
Cell volume	1079.2 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0452
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.1032
Weighted residual factors for all reflections included in the refinement	0.1065
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7228056.cif
195337	2017-04-12	cif/ Adding structures of 7228053, 7228054, 7228055, 7228056 via cif-deposit CGI script.	7228056.cif