Crystallography Open Database

Information card for entry 7249680

Preview

Coordinates	7249680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H11 Cl8 O13 Y
Calculated formula	C16 H11 Cl8 O13 Y
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	11.564 ± 0.0006 Å
b	18.5537 ± 0.0009 Å
c	12.165 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2610.1 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0338
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0506
Weighted residual factors for all reflections included in the refinement	0.0529
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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.	7249680.cif
296831	2024-12-11	cif/ Adding structures of 7249676, 7249677, 7249678, 7249679, 7249680, 7249681 via cif-deposit CGI script.	7249680.cif