Crystallography Open Database

Information card for entry 7006756

Preview

Coordinates	7006756.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H66 Cl2 Cu4 N10 O17
Calculated formula	C57.3333 H56 Cl2 Cu4 N8.66667 O14
Title of publication	Multinuclear copper complexes of pyridylmethylamide ligands.
Authors of publication	Pal Chaudhuri, Urmila; Whiteaker, Laura R.; Yang, Lei; Houser, Robert P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	15
Pages of publication	1902 - 1908
a	42.218 ± 0.008 Å
b	17.377 ± 0.003 Å
c	26.792 ± 0.005 Å
α	90°
β	103.224 ± 0.005°
γ	90°
Cell volume	19134 ± 6 Å³
Cell temperature	95 ± 2 K
Ambient diffraction temperature	95 ± 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	0.0389
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.102
Weighted residual factors for all reflections included in the refinement	0.105
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179771 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/67.	7006756.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006756.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006756.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7006756.cif