Crystallography Open Database

Information card for entry 4328587

Preview

Coordinates	4328587.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(1)
Formula	C36 H56 Cu5 N22 O16
Calculated formula	C34 H46 Cu5 N22 O14
Title of publication	Structures and Magnetic Properties of an Antiferromagnetically Coupled Polymeric Copper(II) Complex and Ferromagnetically Coupled Hexanuclear Nickel(II) Clusters
Authors of publication	Santokh S. Tandon; Scott D. Bunge; Joaquin Sanchiz; Laurence K. Thompson
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	3270 - 3282
a	23.219 ± 0.004 Å
b	8.0004 ± 0.0012 Å
c	29.702 ± 0.004 Å
α	90°
β	108.004 ± 0.002°
γ	90°
Cell volume	5247.3 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0332
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.1007
Weighted residual factors for all reflections included in the refinement	0.1054
Goodness-of-fit parameter for all reflections included in the refinement	0.875
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
179388 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/85.	4328587.cif
77565	2013-03-28	cif/ Adding structures of 4328587 via cif-deposit CGI script.	4328587.cif