Crystallography Open Database

Information card for entry 2238531

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Structure parameters

Chemical name	Tetrakis(μ-2-phenylacetato-κ^2^<i>O</i>:<i>O</i>')bis{[4-(dimethylamino)pyridine-κ<i>N</i>^1^]cobalt(II)}
Formula	C46 H48 Co2 N4 O8
Calculated formula	C46 H48 Co2 N4 O8
SMILES	c1(cc[n](cc1)[Co]1234[O]=C(Cc5ccccc5)O[Co]4([n]4ccc(cc4)N(C)C)([O]=C(Cc4ccccc4)O1)([O]=C(O3)Cc1ccccc1)OC(=[O]2)Cc1ccccc1)N(C)C
Title of publication	Tetrakis(μ-2-phenylacetato-κ^2^<i>O</i>:<i>O</i>')bis{[4-(dimethylamino)pyridine-κ<i>N</i>^1^]cobalt(II)}
Authors of publication	Benslimane, Meriem; Redjel, Yasmine Kheira; Dénès, Georges; Merazig, Hocine
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	9
Pages of publication	m517 - m518
a	8.107 ± 0.005 Å
b	11.043 ± 0.005 Å
c	12.573 ± 0.005 Å
α	99.766 ± 0.005°
β	101.878 ± 0.005°
γ	105.335 ± 0.005°
Cell volume	1031.9 ± 0.9 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0281
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0585
Weighted residual factors for all reflections included in the refinement	0.0601
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
301806 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure.	2238531.cif 2238531.hkl
181307	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/85.	2238531.cif 2238531.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238531.cif 2238531.hkl
89416	2013-10-25	cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr.	2238531.cif 2238531.hkl
89414	2013-10-24	cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures.	2238531.cif 2238531.hkl
88670	2013-10-02	cif/ Adding structures of 2238531 via cif-deposit CGI script.	2238531.cif