Crystallography Open Database

Information card for entry 4104538

Preview

Coordinates	4104538.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H27 Fe N5 O
Calculated formula	C44 H27 Fe N5 O
Title of publication	Facile Nitrite Reduction and Conversion Cycle of {Fe(NO)}6/7 Species: Chemistry of Iron N-Confused Porphyrin Complexes via Protonation/Deprotonation
Authors of publication	Wei-Min Ching; Chuan-Hung Chuang; Chih-Wei Wu; Chih-Hsiung Peng; Chen-Hsiung Hung
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	7952 - 7953
a	13.3637 ± 0.0004 Å
b	13.3637 ± 0.0004 Å
c	9.5954 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1713.63 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.1219
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1518
Weighted residual factors for all reflections included in the refinement	0.17
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
178791 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/45.	4104538.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104538.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104538.cif
29562	2011-11-03	../uploads/cif-deposit/cod/cif Adding structures of 4104538 via cif-deposit CGI script.	4104538.cif