Crystallography Open Database

Information card for entry 7249681

Preview

Coordinates	7249681.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 Cl8 K La O19
Calculated formula	C16 H22 Cl8 K La O19
Title of publication	Influence of halogens on the crystal packing of 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds
Authors of publication	Ngom, Fallou; Blais, Chloé; Badiane, Insa; Hénaff, Christine; Camara, Magatte; Daiguebonne, Carole; Guillou, Olivier
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	2
Pages of publication	210 - 225
a	8.2758 ± 0.0003 Å
b	13.9934 ± 0.0007 Å
c	14.3376 ± 0.0006 Å
α	85.9932 ± 0.0014°
β	77.9272 ± 0.0012°
γ	75.6109 ± 0.0013°
Cell volume	1572.45 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0471
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1196
Weighted residual factors for all reflections included in the refinement	0.1232
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
298196 (current)	2025-03-04	cif/ Updating files of 7249676, 7249677, 7249678, 7249679, 7249680, 7249681 Original log message: Adding full bibliography for 7249676--7249681.cif.	7249681.cif
296831	2024-12-11	cif/ Adding structures of 7249676, 7249677, 7249678, 7249679, 7249680, 7249681 via cif-deposit CGI script.	7249681.cif