Crystallography Open Database

Information card for entry 4079313

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Structure parameters

Formula	C64 H70 Cl2 Cr Li O3.5 P4
Calculated formula	C64 H70 Cl2 Cr Li O3.5 P4
SMILES	[Cr]123([Cl][Li]([Cl]1)([O]1CCCC1)[O]1CCCC1)([P](C=P2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](C=P3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1.O1CCCC1
Title of publication	Synthesis and Catalytic Oligomerization Activity of Chromium Catalysts of Ligand Systems with Switchable Connectivity
Authors of publication	Kulangara, Shaneesh Vadake; Mason, Chris; Juba, Michael; Yang, Yun; Thapa, Indira; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Rob
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	17
Pages of publication	6438
a	12.0461 ± 0.0003 Å
b	16.7975 ± 0.0004 Å
c	17.8616 ± 0.0004 Å
α	63.288 ± 0.001°
β	71.886 ± 0.001°
γ	75.243 ± 0.001°
Cell volume	3040.21 ± 0.13 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 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	0.1339
Residual factor for significantly intense reflections	0.0657
Weighted residual factors for significantly intense reflections	0.1589
Weighted residual factors for all reflections included in the refinement	0.1913
Goodness-of-fit parameter for all reflections included in the refinement	0.995
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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