Crystallography Open Database

Information card for entry 4507137

Preview

Coordinates	4507137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H26 Cl3 Cr N3 P
Calculated formula	C23 H26 Cl3 Cr N3 P
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	11.5487 ± 0.0016 Å
b	14.419 ± 0.002 Å
c	15.38 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2561.1 ± 0.6 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0613
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0802
Weighted residual factors for all reflections included in the refinement	0.0904
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4507137.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507137.cif
72009	2013-01-21	cif/ Adding structures of 4507136, 4507137 via cif-deposit CGI script.	4507137.cif