Crystallography Open Database

Information card for entry 4510035

Preview

Coordinates	4510035.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H36 N Ni O P
Calculated formula	C28 H36 N Ni O P
SMILES	[Ni]1(Oc2c(cccc2C=[N]1c1ccccc1Cc1ccccc1)C(C)(C)C)([P](C)(C)C)C
Title of publication	Ni(II) Phenoxyiminato Olefin Polymerization Catalysis: Striking Coordinative Modulation of Hyperbranched Polymer Microstructure and Stability by a Proximate Sulfonyl Group
Authors of publication	Stephenson, Casey J.; McInnis, Jennifer P.; Chen, Changle; Weberski, Michael P.; Motta, Alessandro; Delferro, Massimiliano; Marks, Tobin J.
Journal of publication	ACS Catalysis
Year of publication	2014
Journal volume	4
Journal issue	3
Pages of publication	999
a	10.6892 ± 0.0003 Å
b	27.0455 ± 0.0008 Å
c	9.0785 ± 0.0003 Å
α	90°
β	108.475 ± 0.001°
γ	90°
Cell volume	2489.28 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.97 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0305
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0763
Weighted residual factors for all reflections included in the refinement	0.0777
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179647 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/00.	4510035.cif
106131	2014-03-15	cif/ Adding structures of 4510035 via cif-deposit CGI script.	4510035.cif