Crystallography Open Database

Information card for entry 1556286

Preview

Coordinates	1556286.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54.2 H48.4 Cl0.4 N2 O P2
Calculated formula	C54.2 H48.4 Cl0.4 N2 O P2
SMILES	c12c(cccc1c1cccc(P(=Nc3ccccc3C(C)C)(c3ccccc3)c3ccccc3)c1o2)P(=Nc1c(cccc1)C(C)C)(c1ccccc1)c1ccccc1.C(Cl)Cl
Title of publication	Exploring the versatility of a bis(phosphinimine) pincer ligand: effect of sterics on structure and lactide polymerization activity of cationic zinc complexes
Authors of publication	Wheaton, Craig A.; Hayes, Paul G.
Journal of publication	Catal. Sci. Technol.
Year of publication	2012
Journal volume	2
Journal issue	1
Pages of publication	125
a	11.5434 ± 0.0011 Å
b	14.8956 ± 0.0015 Å
c	15.1659 ± 0.0015 Å
α	62.313 ± 0.001°
β	86.134 ± 0.001°
γ	78.115 ± 0.001°
Cell volume	2258.4 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.1432
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1472
Weighted residual factors for all reflections included in the refinement	0.1827
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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
244148 (current)	2019-11-28	cif/ Adding structures of 1556286, 1556287, 1556288, 1556289, 1556290, 1556291, 1556292, 1556293 via cif-deposit CGI script.	1556286.cif