Crystallography Open Database

Information card for entry 7232115

Preview

Coordinates	7232115.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H13 La O9.5
Calculated formula	C9 H13 La O9.5
Title of publication	2D to 3D solvent mediated transformation of a photoreactive lanthanum MOF: a case of three parallel photo-cycloaddition reactions
Authors of publication	Skoulika, Stavroula; Siskos, Michael G.; Michaelides, Adonis
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	7
Pages of publication	1137
a	7.9686 ± 0.0006 Å
b	8.6786 ± 0.0006 Å
c	11.2515 ± 0.0008 Å
α	95.505 ± 0.006°
β	106.522 ± 0.006°
γ	113.65 ± 0.007°
Cell volume	663.5 ± 0.1 Å³
Cell temperature	277.3 ± 0.1 K
Ambient diffraction temperature	277.3 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.042
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0475
Weighted residual factors for all reflections included in the refinement	0.0506
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
223657 (current)	2019-11-07	cif/ Updating files of 7232115 Original log message: Adding full bibliography for 7232115.cif.	7232115.cif
212930	2019-01-11	cif/ Adding structures of 7232115 via cif-deposit CGI script.	7232115.cif