Crystallography Open Database

Information card for entry 1567084

Preview

Coordinates	1567084.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H58 Cl10 Cr2 N10 P4
Calculated formula	C24 H58 Cl10 Cr2 N10 P4
Title of publication	Single- and double-bridged PNP ligands in chromium-catalysed ethylene oligomerisation
Authors of publication	Lo, Quintin; Pye, Dominic; Gesslbauer, Sami; Sim, Ying; García, Felipe; White, Andrew J. P.; Britovsek, George J. P.
Journal of publication	Catalysis Science & Technology
Year of publication	2022
Journal volume	12
Journal issue	14
Pages of publication	4544 - 4551
a	11.9522 ± 0.0003 Å
b	13.5271 ± 0.0004 Å
c	14.8191 ± 0.0005 Å
α	90°
β	104.592 ± 0.003°
γ	90°
Cell volume	2318.65 ± 0.12 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0534
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.0929
Weighted residual factors for all reflections included in the refinement	0.1015
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
277087 (current)	2022-08-06	cif/ Updating files of 1567084, 1567085, 1567086 Original log message: Adding full bibliography for 1567084--1567086.cif.	1567084.cif
275921	2022-06-09	cif/ Adding structures of 1567084, 1567085, 1567086 via cif-deposit CGI script.	1567084.cif