Crystallography Open Database

Information card for entry 1550322

Preview

Coordinates	1550322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H89.27 Co Ga N4 O P5
Calculated formula	C69 H90.16 Co Ga N4 O P5
SMILES	[Ga]12(N(C(=CC(=[N]2c2c(C(C)C)cccc2C(C)C)C)C)c2c(C(C)C)cccc2C(C)C)[P]2[Co]345([P](=[P]13P(C(C)C)C(C)C)[P]=24)[N](c1c(cc(cc1C)C)C)=C1C(=[N]5c2c(C)cc(cc2C)C)c2c3c1cccc3ccc2.O1CCCC1
Title of publication	Construction of Alkyl-Substituted Pentaphosphido Ligands in the Coordination Sphere of Cobalt
Authors of publication	Ziegler, Christoph G. P.; Maier, Thomas M.; Pelties, Stefan; Taube, Clemens; Hennersdorf, Felix; Ehlers, A.W.; Weigand, Jan J.; Wolf, Robert
Journal of publication	Chemical Science
Year of publication	2019
a	12.5761 ± 0.0004 Å
b	16.9742 ± 0.0004 Å
c	17.4872 ± 0.0004 Å
α	97.67 ± 0.002°
β	101.165 ± 0.002°
γ	94.952 ± 0.002°
Cell volume	3605.33 ± 0.17 Å³
Cell temperature	123 ± 1 K
Ambient diffraction temperature	123 ± 1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0667
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.1798
Weighted residual factors for all reflections included in the refinement	0.1832
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
212360 (current)	2018-12-05	cif/ Adding structures of 1550318, 1550319, 1550320, 1550321, 1550322, 1550323, 1550324, 1550325, 1550326, 1550327 via cif-deposit CGI script.	1550322.cif