Crystallography Open Database

Information card for entry 4339304

Preview

Coordinates	4339304.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H122 Cu3 N28 O W2
Calculated formula	C76 H120 Cu3 N28 O 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	16.2688 ± 0.0003 Å
b	18.7141 ± 0.0004 Å
c	19.107 ± 0.0004 Å
α	116.087 ± 0.001°
β	111.588 ± 0.001°
γ	92.149 ± 0.001°
Cell volume	4717.78 ± 0.18 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	0.094
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.0961
Weighted residual factors for all reflections included in the refinement	0.1106
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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.	4339304.cif
117264	2014-06-14	cif/ Adding structures of 4339304 via cif-deposit CGI script.	4339304.cif