Crystallography Open Database

Information card for entry 1514832

Preview

Coordinates	1514832.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Fe(N(H)(SiMe3)(Dipp))2]
Formula	C30 H52 Fe N2 Si2
Calculated formula	C30 H52 Fe N2 Si2
SMILES	[Fe](N([Si](C)(C)C)c1c(cccc1C(C)C)C(C)C)N([Si](C)(C)C)c1c(cccc1C(C)C)C(C)C
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	8.8101 ± 0.0005 Å
b	9.1759 ± 0.0005 Å
c	11.1624 ± 0.0006 Å
α	102.467 ± 0.001°
β	92.503 ± 0.001°
γ	113.932 ± 0.001°
Cell volume	796.59 ± 0.08 Å³
Cell temperature	95 ± 1 K
Ambient diffraction temperature	95 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0376
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.1035
Weighted residual factors for all reflections included in the refinement	0.1065
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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.	1514832.cif
110279	2014-04-18	cif/ Adding structures of 1514832, 1514833 via cif-deposit CGI script.	1514832.cif