Crystallography Open Database

Information card for entry 2018983

2018982 << 2018983 >> 2018984

Preview

Coordinates	2018983.cif
Structure factors	2018983.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Diacetonitriledi-μ~3~-iodido-di-μ~2~-iodido-bis(4-methyl-{5-[5-methyl-2-(pyridin-4-ylcarbonyloxy)phenyl]-1,3,4-oxadiazol-2-yl}phenyl pyridine-4-carboxylate)tetracopper(I)
Formula	C60 H46 Cu4 I4 N10 O10
Calculated formula	C60 H46 Cu4 I4 N10 O10
SMILES	c1[n]2ccc(c1)C(=O)Oc1ccc(C)cc1c1nnc(o1)c1c(OC(=O)c3cc[n](cc3)[Cu]34([I]5[Cu]6782[I][Cu]28([I]6[Cu]457([I]3)[n]3ccc(cc3)C(=O)Oc3ccc(C)cc3c3nnc(o3)c3cc(C)ccc3OC(=O)c3cc[n]2cc3)[N]#CC)[N]#CC)ccc(c1)C
Title of publication	The coordination chemistry of two symmetric double-armed oxadiazole-bridged organic ligands with copper salts
Authors of publication	Wu, Xiang-Wen; Xin, Meng-Meng; Ma, Jian-Ping; Wu, Zhen-Hua; Dong, Yu-Bin
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	6
Pages of publication	601 - 605
a	9.26 ± 0.002 Å
b	12.597 ± 0.003 Å
c	15.623 ± 0.004 Å
α	96.709 ± 0.004°
β	102.843 ± 0.004°
γ	108.464 ± 0.004°
Cell volume	1650.4 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.067
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.0943
Weighted residual factors for all reflections included in the refinement	0.1038
Goodness-of-fit parameter for all reflections included in the refinement	0.983
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
180858 (current)	2016-04-02	cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/89.	2018983.cif 2018983.hkl
176760	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2018983.cif 2018983.hkl
88055	2013-08-28	cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently.	2018983.cif 2018983.hkl
88054	2013-08-28	cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data.	2018983.cif 2018983.hkl
86667	2013-07-11	cif/ Adding structures of 2018982, 2018983 via cif-deposit CGI script.	2018983.cif