Crystallography Open Database

Information card for entry 1572117

Preview

Coordinates	1572117.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H139 N4 O3.5 P2 Y2
Calculated formula	C92 H139 N4 O3.5 P2 Y2
Title of publication	Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings.
Authors of publication	Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	30
Pages of publication	12138 - 12147
a	12.7857 ± 0.0014 Å
b	18.839 ± 0.002 Å
c	19.534 ± 0.002 Å
α	98.801 ± 0.003°
β	105.57 ± 0.003°
γ	99.416 ± 0.003°
Cell volume	4374.4 ± 0.8 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0342
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0659
Weighted residual factors for all reflections included in the refinement	0.0683
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
293775 (current)	2024-08-05	cif/ Updating files of 1572109, 1572110, 1572111, 1572112, 1572113, 1572114, 1572115, 1572116, 1572117 Original log message: Adding full bibliography for 1572109--1572117.cif.	1572117.cif
293309	2024-07-09	cif/ Adding structures of 1572109, 1572110, 1572111, 1572112, 1572113, 1572114, 1572115, 1572116, 1572117 via cif-deposit CGI script.	1572117.cif