Crystallography Open Database

Information card for entry 4073553

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Coordinates	4073553.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H40 Al Cl4 Cr N S2
Calculated formula	C27 H40 Al Cl4 Cr N S2
Title of publication	New Insight into the Role of the Metal Oxidation State in Controlling the Selectivity of the Cr-(SNS) Ethylene Trimerization Catalyst
Authors of publication	Temple, Claire N.; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Robbert
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	18
Pages of publication	4598
a	13.871 ± 0.005 Å
b	16.849 ± 0.006 Å
c	14.368 ± 0.005 Å
α	90°
β	95.566 ± 0.005°
γ	90°
Cell volume	3342 ± 2 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	7
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	0.1152
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.141
Weighted residual factors for all reflections included in the refinement	0.1714
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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