Crystallography Open Database

Information card for entry 4330533

Preview

Coordinates	4330533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H30 Fe N5 O4 P2
Calculated formula	C36 H30 Fe N5 O4 P2
Title of publication	A Dinitrosyliron Complex within the Homoleptic Fe(NO)4 Anion: NO as Nitroxyl and Nitrosyl Ligands within a Single Structure
Authors of publication	Zong-Sian Lin; Tzung-Wen Chiou; Kuan-Yu Liu; Chang-Chih Hsieh; Jen-Shiang K. Yu; Wen-Feng Liaw
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	10092 - 10094
a	9.8887 ± 0.0004 Å
b	11.7543 ± 0.0005 Å
c	16.49 ± 0.0006 Å
α	72.133 ± 0.002°
β	80.266 ± 0.002°
γ	87.33 ± 0.002°
Cell volume	1797.98 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0997
Residual factor for significantly intense reflections	0.0771
Weighted residual factors for significantly intense reflections	0.2299
Weighted residual factors for all reflections included in the refinement	0.2569
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179408 (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 4/33/05.	4330533.cif
79804	2013-04-05	cif/ Adding structures of 4330533 via cif-deposit CGI script.	4330533.cif