Crystallography Open Database

Information card for entry 4333548

Preview

Coordinates	4333548.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H58 Cl2 Co2 N2 O P2
Calculated formula	C34 H58 Cl2 Co2 N2 O P2
SMILES	[Co]123([Co]([Cl]1)(N(c1c(cc(cc1C)C)C)[P]2(C(C)C)C(C)C)(N(c1c(cc(cc1C)C)C)[P]3(C(C)C)C(C)C)[O]1CCCC1)Cl
Title of publication	Metal-Metal Bonding in Low-Coordinate Dicobalt Complexes Supported by Phosphinoamide Ligands
Authors of publication	Ramyaa Mathialagan; Subramaniam Kuppuswamy; Alexandra T. De Denko; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	701 - 706
a	8.4435 ± 0.0007 Å
b	19.6022 ± 0.0015 Å
c	22.671 ± 0.0018 Å
α	90°
β	90.807 ± 0.005°
γ	90°
Cell volume	3751.9 ± 0.5 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	7
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	0.0583
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for all reflections	0.0847
Weighted residual factors for significantly intense reflections	0.0779
Weighted residual factors for all reflections included in the refinement	0.0847
Goodness-of-fit parameter for all reflections included in the refinement	0.9865
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4333548.cif
99343	2014-01-31	cif/ Adding structures of 4333548 via cif-deposit CGI script.	4333548.cif