Crystallography Open Database

Information card for entry 4507136

Preview

Coordinates	4507136.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	08212z
Formula	C31 H31 Cl3 Cr N4 P
Calculated formula	C31 H31 Cl3 Cr N4 P
SMILES	[Cr]1([P](c2ccccc2)(c2ccccc2)NC(c2ccccc2)=[N]1c1c(cccc1C)C)(Cl)(Cl)(Cl)[N]#CC.N#CC
Title of publication	Selective Ethylene Tri-/Tetramerization Catalysts
Authors of publication	Sydora, Orson L.; Jones, Thomas C.; Small, Brooke L.; Nett, Alex J.; Fischer, Anne A.; Carney, Michael J.
Journal of publication	ACS Catalysis
Year of publication	2012
Journal volume	2
Journal issue	12
Pages of publication	2452
a	11.2332 ± 0.0009 Å
b	16.7375 ± 0.0014 Å
c	33.095 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	6222.4 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0636
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0865
Weighted residual factors for all reflections included in the refinement	0.0953
Goodness-of-fit parameter for all reflections included in the refinement	0.99
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
179607 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/71.	4507136.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507136.cif
72009	2013-01-21	cif/ Adding structures of 4507136, 4507137 via cif-deposit CGI script.	4507136.cif