Crystallography Open Database

Information card for entry 4112780

Preview

Coordinates	4112780.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(Tp)Fe(CN)3Cu(MeOH)(CN)3Fe(Tp),2(MeOH)
Formula	C27 H32 B2 Cu Fe2 N18 O3
Calculated formula	C27 H32 B2 Cu Fe2 N18 O3
Title of publication	The Observation of Superparamagnetic Behavior in Molecular Nanowires
Authors of publication	Shi Wang; Jing-Lin Zuo; Song Gao; You Song; Hong-Cai Zhou; Yuan-Zhu Zhang; Xiao-Zeng You
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	8900 - 8901
a	15.0248 ± 0.0009 Å
b	19.0019 ± 0.0012 Å
c	13.4159 ± 0.0008 Å
α	90°
β	100.556 ± 0.001°
γ	90°
Cell volume	3765.4 ± 0.4 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0597
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0796
Weighted residual factors for all reflections included in the refinement	0.0825
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4112780.html