Crystallography Open Database

Information card for entry 4339301

Preview

Coordinates	4339301.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H126 Cu3 Mo2 N36 O16
Calculated formula	C58 H102 Cu3 Mo2 N34 O16
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	9.8095 ± 0.0002 Å
b	15.5889 ± 0.0003 Å
c	16.0992 ± 0.0004 Å
α	70.227 ± 0.001°
β	85.276 ± 0.001°
γ	85.967 ± 0.001°
Cell volume	2306.49 ± 0.09 Å³
Cell temperature	30 K
Ambient diffraction temperature	130 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	0.077
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1188
Weighted residual factors for all reflections included in the refinement	0.1268
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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.	4339301.cif
117261	2014-06-14	cif/ Adding structures of 4339301 via cif-deposit CGI script.	4339301.cif