Crystallography Open Database

Information card for entry 1550321

Preview

Coordinates	1550321.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H111 Co Ga K N4 O6 P4
Calculated formula	C77 H111 Co Ga K N4 O6 P4
SMILES	[Ga]12([P]3[Co]456([P]3[P]4[P]15)[N](=C1C(=[N]6c3c(C(C)C)cccc3C(C)C)c3cccc4cccc1c34)c1c(cccc1C(C)C)C(C)C)N(C(=CC(=[N]2c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C.[K]1([O](C)CC[O]1C)[O](C)CCOC.O(C)CCOC
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	13.84854 ± 0.00012 Å
b	21.0014 ± 0.0002 Å
c	27.3815 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	7963.6 ± 0.13 Å³
Cell temperature	123 ± 1 K
Ambient diffraction temperature	123 ± 1 K
Number of distinct elements	8
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0361
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0912
Weighted residual factors for all reflections included in the refinement	0.093
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	1550321.cif