Crystallography Open Database

Information card for entry 2233506

Preview

Coordinates	2233506.cif
Structure factors	2233506.hkl
Original IUCr paper	HTML
External links	PubChem

Structure parameters

Chemical name	<i>catena</i>-Poly[copper(II)-bis(μ-2-formyl-6-methoxyphenolato- κ^4^<i>O</i>^2^,<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^6^)-[(methanol- κ<i>O</i>)sodium]-μ-perchlorato-κ^2^<i>O</i>:<i>O</i>']
Formula	C17 H18 Cl Cu Na O11
Calculated formula	C17 H18 Cl Cu Na O11
SMILES	c1([O]([Na]234(OCl(=O)(=O)=O)[OH]C)C)cccc5c1[O]2[Cu]1([O]=C5)[O]3c2c([O]4C)cccc2C=[O]1
Title of publication	<i>catena</i>-Poly[copper(II)-bis(μ-2-formyl-6-methoxyphenolato-κ^4^<i>O</i>^2^,<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^6^)-[(methanol-κ<i>O</i>)sodium]-μ-perchlorato-κ^2^<i>O</i>:<i>O</i>']
Authors of publication	Gao, Ting; Gao, Po; Li, Hong-Feng; Zhang, Ju-Wen; Xu, Li-Li
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	2
Pages of publication	m152
a	7.9552 ± 0.0016 Å
b	8.9453 ± 0.0018 Å
c	15.563 ± 0.003 Å
α	81.27 ± 0.03°
β	84.24 ± 0.03°
γ	68.25 ± 0.03°
Cell volume	1015.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0401
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0947
Weighted residual factors for all reflections included in the refinement	0.1078
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	2233506.cif 2233506.hkl
181257	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 2/23/35.	2233506.cif 2233506.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.	2233506.cif 2233506.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2233506.cif 2233506.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2233506.cif 2233506.hkl
66590	2012-09-11	hkl/ Adding assigned .htl files for the most recent IUCr data depositions.	2233506.cif 2233506.hkl
38302	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 2233506 via cif-deposit CGI script.	2233506.cif