Crystallography Open Database

Information card for entry 4339303

Preview

Coordinates	4339303.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H82 Cu3 N28 O5 W2
Calculated formula	C46 H72 Cu3 N28 O5 W2
Title of publication	Bimetallic M(V)(2)Cu(II)(3) (M = Mo, W) coordination complexes based on octacyanometalates: structures and magnetic variations tuned by chelated tetradentate macrocyclic ligands.
Authors of publication	Lim, Jeong Hak; You, Young Sin; Yoo, Houng Sik; Yoon, Jung Hee; Kim, Jae Il; Koh, Eui Kwan; Hong, Chang Seop
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	25
Pages of publication	10578 - 10586
a	8.9255 ± 0.0011 Å
b	10.0938 ± 0.0013 Å
c	19.549 ± 0.003 Å
α	78.342 ± 0.005°
β	83.074 ± 0.005°
γ	69.472 ± 0.005°
Cell volume	1613 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.09
Residual factor for significantly intense reflections	0.0693
Weighted residual factors for significantly intense reflections	0.1662
Weighted residual factors for all reflections included in the refinement	0.1779
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
179496 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/93.	4339303.cif
117263	2014-06-14	cif/ Adding structures of 4339303 via cif-deposit CGI script.	4339303.cif