Crystallography Open Database

Information card for entry 4332554

Preview

Coordinates	4332554.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H26 Fe N4 O2
Calculated formula	C15 H26 Fe N4 O2
Title of publication	Transformation and Structural Discrimination between the Neutral {Fe(NO)2}10Dinitrosyliron Complexes (DNICs) and the Anionic/Cationic {Fe(NO)2}9DNICs
Authors of publication	Hung, Mu-Cheng; Tsai, Ming-Che; Lee, Gene-Hsiang; Liaw, Wen-Feng
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	15
Pages of publication	6041 - 6047
a	8.0599 ± 0.0006 Å
b	13.3528 ± 0.0009 Å
c	14.5948 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1570.72 ± 0.19 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0352
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0781
Weighted residual factors for all reflections included in the refinement	0.0792
Goodness-of-fit parameter for all reflections included in the refinement	1.142
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
179428 (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 4/33/25.	4332554.cif
98383	2014-01-30	cif/ Adding structures of 4332554 via cif-deposit CGI script.	4332554.cif