Crystallography Open Database

Information card for entry 1571258

Preview

Coordinates	1571258.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H48 Bi N3 O3 P2 W
Calculated formula	C46 H40 Bi N3 O3 P2 W
Title of publication	Combining geometric constraint and redox non-innocence within an ambiphilic PBiP pincer ligand.
Authors of publication	Coburger, Peter; Buzanich, Ana Guilherme; Emmerling, Franziska; Abbenseth, Josh
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	16
Pages of publication	6036 - 6043
a	10.9439 ± 0.0007 Å
b	21.0052 ± 0.001 Å
c	21.9721 ± 0.0012 Å
α	92.01 ± 0.002°
β	101.049 ± 0.002°
γ	103.267 ± 0.002°
Cell volume	4808.4 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0908
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1137
Weighted residual factors for all reflections included in the refinement	0.1332
Goodness-of-fit parameter for all reflections included in the refinement	0.9746
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
291573 (current)	2024-05-05	cif/ Updating files of 1571257, 1571258, 1571259 Original log message: Adding full bibliography for 1571257--1571259.cif.	1571258.cif
290521	2024-03-19	cif/ Adding structures of 1571257, 1571258, 1571259 via cif-deposit CGI script.	1571258.cif