Crystallography Open Database

Information card for entry 4089291

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Coordinates	4089291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H31 Cl7 Cr N P2
Calculated formula	C33 H31 Cl7 Cr N P2
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	10.8962 ± 0.0007 Å
b	12.8113 ± 0.0015 Å
c	13.8238 ± 0.0017 Å
α	75.733 ± 0.006°
β	81.438 ± 0.005°
γ	73.265 ± 0.005°
Cell volume	1784.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.02 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0636
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.077
Weighted residual factors for all reflections included in the refinement	0.0852
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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