Crystallography Open Database

Information card for entry 4506154

Preview

Coordinates	4506154.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H32 Cl7 Cu4 N19 O2
Calculated formula	C26 H32 Cl7 Cu4 N19 O2
SMILES	c1cccc([n]1[Cu]1([N]([Cu]2([N]1=N#N)([N](=N#N)[Cu]1([N](=N#N)[Cu]([N]1=N#N)([OH]C)(Cl)[n]1ccccc1CCl)([Cl]2)[n]1ccccc1CCl)[n]1ccccc1CCl)=N#N)([OH]C)Cl)CCl
Title of publication	Ligand-Directed Assembly of Azide-Bridged Tetranuclear, One-Dimensional and Two-Dimensional Cu(II) Complexes: Synthesis, Crystal Structure and Magnetic Properties
Authors of publication	Shi, Wen-Bo; Cui, Ai-Li; Kou, Hui-Zhong
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	7
Pages of publication	3436
a	19.966 ± 0.004 Å
b	9.322 ± 0.0019 Å
c	23.931 ± 0.005 Å
α	90°
β	91.34 ± 0.03°
γ	90°
Cell volume	4452.9 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0442
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0864
Weighted residual factors for all reflections included in the refinement	0.0928
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	No

Version history

Revision	Date	Message	Files
179597 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/61.	4506154.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506154.cif
62150	2012-07-07	cif/ Adding structures of 4506153, 4506154, 4506155, 4506156 via cif-deposit CGI script.	4506154.cif