Crystallography Open Database

Information card for entry 4087570

Preview

Coordinates	4087570.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ni-Phos complex
Formula	C28 H24 Cl2 N2 Ni P2
Calculated formula	C28 H24 Cl2 N2 Ni P2
SMILES	c1n(c2c(n1)[P](c1ccccc1)(c1ccccc1)[Ni](Cl)(Cl)[P]2(c1ccccc1)c1ccccc1)C
Title of publication	Synthesis, Structure, and Coordination Chemistry of Phosphine-Functionalized Imidazole/Imidazolium Salts and Cleavage of a C‒P Bond in an NHC‒Phosphenium Salt using a Pd(0) Precursor
Authors of publication	Karthik, Vedhagiri; Gupta, Vivek; Anantharaman, Ganapathi
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	15
Pages of publication	3713
a	11.1368 ± 0.0011 Å
b	15.2765 ± 0.0016 Å
c	15.4532 ± 0.0016 Å
α	90.841 ± 0.002°
β	91.159 ± 0.002°
γ	103.421 ± 0.002°
Cell volume	2556.2 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0642
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1331
Weighted residual factors for all reflections included in the refinement	0.1678
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
236859 (current)	2019-11-24	cif/ Adding structures of 4087570, 4087571, 4087572, 4087573, 4087574, 4087575, 4087576, 4087577, 4087578, 4087579, 4087580 via cif-deposit CGI script.	4087570.cif