Crystallography Open Database

Information card for entry 4505955

Preview

Coordinates	4505955.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H48 Cu6 N48 O8 W4
Calculated formula	C64 H32 Cu6 N48 O8 W4
Title of publication	Magnetic Dimensional Crossover from Two- to Three-Dimensional Heisenberg Magnetism in a Cu‒W Cyano-Bridged Bimetal Assembly
Authors of publication	Yamada, Ryo; Tokoro, Hiroko; Ozaki, Noriaki; Ohkoshi, Shin-ichi
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	4
Pages of publication	2013
a	15.7365 ± 0.0003 Å
b	21.1555 ± 0.0004 Å
c	27.1871 ± 0.0005 Å
α	90°
β	91.863 ± 0.0007°
γ	90°
Cell volume	9046.2 ± 0.3 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.045
Weighted residual factors for all reflections included in the refinement	0.0965
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179595 (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 4/50/59.	4505955.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505955.cif
57419	2012-05-18	cif/ Adding structures of 4505955 via cif-deposit CGI script.	4505955.cif