Crystallography Open Database

Information card for entry 7134139

Preview

Coordinates	7134139.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H65 Ce O P2 S
Calculated formula	C55 H65 Ce O P2 S
Title of publication	Cerium(III) yldiide complexes with divergent CO reactivity.
Authors of publication	Gremillion, Alexander J.; Kumar, Hemant; Del Rosal, Iker; Kelley, Steven P.; Maron, Laurent; Gessner, Viktoria H.; Walensky, Justin R.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	4
Pages of publication	752 - 755
a	18.6645 ± 0.0005 Å
b	13.3611 ± 0.0004 Å
c	19.5603 ± 0.0006 Å
α	90°
β	97.2684 ± 0.001°
γ	90°
Cell volume	4838.7 ± 0.2 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.051
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0617
Weighted residual factors for all reflections included in the refinement	0.0724
Goodness-of-fit parameter for all reflections included in the refinement	1.145
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
298009 (current)	2025-03-04	cif/ Updating files of 7134138, 7134139, 7134140, 7134141, 7134142 Original log message: Adding full bibliography for 7134138--7134142.cif.	7134139.cif
297193	2025-01-08	cif/ Adding structures of 7134138, 7134139, 7134140, 7134141, 7134142 via cif-deposit CGI script.	7134139.cif