Crystallography Open Database

Information card for entry 7134781

Preview

Coordinates	7134781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62.5 H80 N2 O
Calculated formula	C62.5 H80 N2 O
Title of publication	Unsymmetrical bis(anilido)xanthene ligands: development and use in the preparation of magnesium diamide complexes.
Authors of publication	Evans, Matthew J.; Jones, Cameron
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	63
Pages of publication	11814 - 11817
a	12.4386 ± 0.0001 Å
b	19.1066 ± 0.0002 Å
c	21.5188 ± 0.0003 Å
α	89.669 ± 0.001°
β	87.336 ± 0.001°
γ	89.355 ± 0.001°
Cell volume	5108.22 ± 0.1 Å³
Cell temperature	123.01 ± 0.1 K
Ambient diffraction temperature	123.01 ± 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	0.0716
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.1845
Weighted residual factors for all reflections included in the refinement	0.1945
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301487 (current)	2025-08-05	cif/ Updating files of 7134774, 7134775, 7134776, 7134777, 7134778, 7134779, 7134780, 7134781 Original log message: Adding full bibliography for 7134774--7134781.cif.	7134781.cif
300289	2025-07-03	cif/ Adding structures of 7134774, 7134775, 7134776, 7134777, 7134778, 7134779, 7134780, 7134781 via cif-deposit CGI script.	7134781.cif