Crystallography Open Database

Information card for entry 1507710

Preview

Coordinates	1507710.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 Cl4 Cu2 N14
Calculated formula	C14 H14 Cl4 Cu2 N14
SMILES	[Cu]1(Cl)(Cl)([Cl][Cu]2(Cl)[N](Cc3ccc(c[n]23)CN=N#N)=N#N)[n]2c(ccc(CN=N#N)c2)C[N]1=N#N
Title of publication	Chemoselective sequential "click" ligation using unsymmetrical bisazides.
Authors of publication	Yuan, Zhao; Kuang, Gui-Chao; Clark, Ronald J.; Zhu, Lei
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	10
Pages of publication	2590 - 2593
a	7.9368 ± 0.001 Å
b	31.757 ± 0.004 Å
c	9.0741 ± 0.0011 Å
α	90°
β	101.11 ± 0.001°
γ	90°
Cell volume	2244.3 ± 0.5 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.0318
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0679
Weighted residual factors for all reflections included in the refinement	0.0691
Goodness-of-fit parameter for all reflections included in the refinement	0.971
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1507710.cif
113510	2014-05-13	cif/ Updating files of 1507710 Original log message: Adding full bibliography for 1507710.cif.	1507710.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1507710.cif
59802	2012-06-13	cif/ Adding structures of 1507710 via cif-deposit CGI script.	1507710.cif