Crystallography Open Database

Information card for entry 1514833

Preview

Coordinates	1514833.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H76 Fe0.93 N2
Calculated formula	C60 H76 Fe0.93 N2
Title of publication	Slow magnetization dynamics in a series of two-coordinate iron(ii) complexes
Authors of publication	Zadrozny, Joseph M.; Atanasov, Mihail; Bryan, Aimee M.; Lin, Chun-Yi; Rekken, Brian D.; Power, Philip P.; Neese, Frank; Long, Jeffrey R.
Journal of publication	Chemical Science
Year of publication	2013
Journal volume	4
Journal issue	1
Pages of publication	125
a	10.8937 ± 0.0018 Å
b	20.234 ± 0.003 Å
c	11.2231 ± 0.0019 Å
α	90°
β	90.829 ± 0.003°
γ	90°
Cell volume	2473.6 ± 0.7 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0449
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.08
Weighted residual factors for all reflections included in the refinement	0.0857
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514833.cif
110279	2014-04-18	cif/ Adding structures of 1514832, 1514833 via cif-deposit CGI script.	1514833.cif