Crystallography Open Database

Information card for entry 4104539

Preview

Coordinates	4104539.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H28 Cl Fe N5 O5
Calculated formula	C44 H28 Cl Fe N5 O5
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	15.8963 ± 0.0005 Å
b	9.6917 ± 0.0003 Å
c	22.5515 ± 0.0007 Å
α	90°
β	98.775 ± 0.002°
γ	90°
Cell volume	3433.67 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0818
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1276
Weighted residual factors for all reflections included in the refinement	0.1492
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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.	4104539.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104539.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104539.cif
29563	2011-11-03	../uploads/cif-deposit/cod/cif Adding structures of 4104539 via cif-deposit CGI script.	4104539.cif