Crystallography Open Database

Information card for entry 4333550

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Structure parameters

Formula	C36 H68 Co2 N2 P4
Calculated formula	C36 H68 Co2 N2 P4
SMILES	[P](C)(C)([Co]123N(c4c(cc(cc4C)C)C)[P]1(C(C)C)(C(C)C)[Co]13(N(c3c(cc(cc3C)C)C)[P]21(C(C)C)C(C)C)[P](C)(C)C)C
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	8.771 ± 0.0005 Å
b	11.5687 ± 0.0006 Å
c	12.0272 ± 0.0006 Å
α	106.184 ± 0.002°
β	105.84 ± 0.002°
γ	110.519 ± 0.002°
Cell volume	1000.13 ± 0.1 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0221
Residual factor for significantly intense reflections	0.0203
Weighted residual factors for all reflections	0.0524
Weighted residual factors for significantly intense reflections	0.0506
Weighted residual factors for all reflections included in the refinement	0.0524
Goodness-of-fit parameter for all reflections included in the refinement	1.0088
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4333550.cif
179438	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/35.	4333550.cif
99345	2014-01-31	cif/ Adding structures of 4333550 via cif-deposit CGI script.	4333550.cif