Crystallography Open Database

Information card for entry 4089297

Preview

Coordinates	4089297.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78.76 H78.28 Al Cl6.24 Cr2 N2 P4
Calculated formula	C78.726 H78.178 Al Cl6.274 Cr2 N2 P4
Title of publication	Ethylene Tetramerization Catalysis: Effects of Aluminum-Induced Isomerization of PNP to PPN Ligands
Authors of publication	Lifschitz, Alejo M.; Hirscher, Nathanael A.; Lee, Heui Beom; Buss, Joshua A.; Agapie, Theodor
Journal of publication	Organometallics
Year of publication	2017
Journal volume	36
Journal issue	8
Pages of publication	1640
a	14.6582 ± 0.0005 Å
b	22.7883 ± 0.0008 Å
c	24.5404 ± 0.0009 Å
α	68.635 ± 0.001°
β	88.712 ± 0.001°
γ	88.382 ± 0.001°
Cell volume	7630.3 ± 0.5 Å³
Cell temperature	100 ± 2 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	0.0948
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1257
Weighted residual factors for all reflections included in the refinement	0.1381
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
238095 (current)	2019-11-24	cif/ Adding structures of 4089291, 4089292, 4089293, 4089294, 4089295, 4089296, 4089297 via cif-deposit CGI script.	4089297.cif