Crystallography Open Database

Information card for entry 4076171

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Coordinates	4076171.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H55 Cl Cr Li N3 O3
Calculated formula	C51 H56 Cl Cr Li N3 O4
Title of publication	Switchable Chromium(II) Ethylene Oligomerization/Polymerization Catalyst
Authors of publication	Crewdson, Patrick; Gambarotta, Sandro; Djoman, Marie-Charlotte; Korobkov, Ilia; Duchateau, Robbert
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	22
Pages of publication	5214
a	18.88 ± 0.1 Å
b	22.13 ± 0.12 Å
c	11.15 ± 0.06 Å
α	90°
β	90°
γ	90°
Cell volume	4659 ± 4 Å³
Cell temperature	211 ± 2 K
Ambient diffraction temperature	211 ± 2 K
Number of distinct elements	7
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1026
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.1279
Weighted residual factors for all reflections included in the refinement	0.1428
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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