Crystallography Open Database

Information card for entry 7052769

Preview

Coordinates	7052769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H49 Cl2 Cu2 N6 O8.5 P2
Calculated formula	C60 H48 Cl2 Cu2 N6 O8.5 P2
Title of publication	Synthesis, structures and characterization of a series of Cu(i)-diimine complexes with labile N,N′-bis((diphenylphosphino)methyl)naphthalene-1,5-diamine: diverse structures directed by π‒π stacking interactions
Authors of publication	Ni, Qing-Ling; Jiang, Xuan-Feng; Gui, Liu-Cheng; Wang, Xiu-Jian; Yang, Kun-Guo; Bi, Xian-Shu
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	11
Pages of publication	2471
a	10.844 ± 0.001 Å
b	15.52 ± 0.001 Å
c	17.594 ± 0.002 Å
α	90°
β	100.868 ± 0.001°
γ	90°
Cell volume	2907.9 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0974
Residual factor for significantly intense reflections	0.0693
Weighted residual factors for significantly intense reflections	0.2046
Weighted residual factors for all reflections included in the refinement	0.2513
Goodness-of-fit parameter for all reflections included in the refinement	1.178
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7052769.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052769.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052769.cif
30103	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 7052769, 7052770, 7052771, 7052772, 7052773 via cif-deposit CGI script.	7052769.cif