Crystallography Open Database

Information card for entry 2018958

2018957 << 2018958 >> 2018959

Preview

Coordinates	2018958.cif
Structure factors	2018958.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Di-μ~2~-chlorido-dichloridobis(dimethylformamide)tetrakis[μ~3~-1-(2-oxidobenzoyl)-2-(2-oxo-2-phenylethanethioyl)hydrazine-1,2-diido]octacopper(II) dimethylformamide disolvate
Formula	C72 H68 Cl4 Cu8 N16 O16 S4
Calculated formula	C72 H68 Cl4 Cu8 N16 O16 S4
SMILES	[N]12[N]3=C4O[Cu]2([O]=C(NC=1S[Cu]13[O](c2c4cccc2)[Cu]234[N]5[N]6=C(NC(c7ccccc7)=[O][Cu]6(OC=5c5c([O]12)cccc5)([O]=CN(C)C)[Cl][Cu]125[N]6[N]7=C(NC(=[O][Cu](OC=6c6c([O]2[Cu]2[O]1c1c(C8O[Cu]9([O]=C(NC(S7)=[N]9[N]2=8)c2ccccc2)Cl)cccc1)cccc6)([O]=CN(C)C)[Cl]3)c1ccccc1)S5)S4)c1ccccc1)Cl.N(C=O)(C)C.N(C=O)(C)C
Title of publication	Di-μ~2~-chlorido-dichloridobis(dimethylformamide)tetrakis[μ~3~-1-(2-oxidobenzoyl)-2-(2-oxo-2-phenylethanethioyl)hydrazine-1,2-diido]octacopper(II) dimethylformamide disolvate
Authors of publication	Liu, Jian-Jun; Liao, Jian-Zhen; Li, Zuo-Yin; Wang, Yao; Huang, Chang-Cang
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	6
Pages of publication	613 - 615
a	9.5672 ± 0.0019 Å
b	19.153 ± 0.004 Å
c	23.006 ± 0.005 Å
α	90°
β	101.53 ± 0.03°
γ	90°
Cell volume	4130.6 ± 1.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
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	0.137
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.0564
Weighted residual factors for all reflections included in the refinement	0.0667
Goodness-of-fit parameter for all reflections included in the refinement	0.965
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.	2018958.cif 2018958.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.	2018958.cif 2018958.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.	2018958.cif 2018958.hkl
88054	2013-08-28	cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data.	2018958.cif 2018958.hkl
86499	2013-07-11	cif/ Adding structures of 2018958 via cif-deposit CGI script.	2018958.cif