Crystallography Open Database

Information card for entry 2233081

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Structure parameters

Chemical name	Tetrakis(μ-4-azidobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(<i>N</i>,<i>N</i>- dimethylformamide-κ<i>O</i>)copper(II)]
Formula	C34 H30 Cu2 N14 O10
Calculated formula	C34 H30 Cu2 N14 O10
SMILES	c1(ccc(cc1)N=N#N)C1=[O][Cu]234(OC(c5ccc(N=N#N)cc5)=[O][Cu]4(O1)([O]=C(c1ccc(cc1)N=N#N)O2)(OC(c1ccc(N=N#N)cc1)=[O]3)[O]=CN(C)C)[O]=CN(C)C
Title of publication	Tetrakis(μ-4-azidobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)copper(II)]
Authors of publication	Wang, Aidong
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	1
Pages of publication	m43
a	11.9209 ± 0.0008 Å
b	17.9387 ± 0.001 Å
c	9.368 ± 0.0005 Å
α	90°
β	91.277 ± 0.005°
γ	90°
Cell volume	2002.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.038
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0872
Weighted residual factors for all reflections included in the refinement	0.0911
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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.	2233081.cif 2233081.hkl
181252	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 2/23/30.	2233081.cif 2233081.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.	2233081.cif 2233081.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2233081.cif 2233081.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.	2233081.cif 2233081.hkl
34292	2012-02-14	hkl/ Adding Fobs data for the recently deposited IUCr structures.	2233081.cif 2233081.hkl
32133	2012-02-08	../uploads/cif-deposit/cod/cif Adding structures of 2233081 via cif-deposit CGI script.	2233081.cif