Crystallography Open Database

Information card for entry 4089066

Preview

Coordinates	4089066.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H42 Cl Cr N P2
Calculated formula	C23 H42 Cl Cr N P2
SMILES	c12cccc3C=P(C(C)(C)C)(C(C)(C)C)[Cr]([n]23)([P](C1)(C(C)(C)C)C(C)(C)C)Cl
Title of publication	Chromium(II) Pincer Complexes with Dearomatized PNP and PNC Ligands: A Comparative Study of Their Catalytic Ethylene Oligomerization Activity
Authors of publication	Simler, Thomas; Braunstein, Pierre; Danopoulos, Andreas A.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	24
Pages of publication	4044
a	22.961 ± 0.003 Å
b	8.1876 ± 0.001 Å
c	14.2393 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	2676.9 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1077
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.1011
Weighted residual factors for all reflections included in the refinement	0.1135
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
237960 (current)	2019-11-24	cif/ Adding structures of 4089066 via cif-deposit CGI script.	4089066.cif