Crystallography Open Database

Information card for entry 7033372

Preview

Coordinates	7033372.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H112 Fe2 N16 O
Calculated formula	C80 H112 Fe2 N16 O
Title of publication	Synthesis and characterization of μ-nitrido, μ-carbido and μ-oxo dimers of iron octapropylporphyrazine.
Authors of publication	Colomban, Cédric; Kudrik, Evgeny V.; Tyurin, Dmitry V.; Albrieux, Florian; Nefedov, Sergei E.; Afanasiev, Pavel; Sorokin, Alexander B.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	5
Pages of publication	2240 - 2251
a	15.5842 ± 0.0013 Å
b	16.0628 ± 0.0013 Å
c	17.9023 ± 0.0014 Å
α	72.561 ± 0.001°
β	84.558 ± 0.001°
γ	68.541 ± 0.001°
Cell volume	3978.5 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0699
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1227
Weighted residual factors for all reflections included in the refinement	0.1393
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
180039 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/33.	7033372.cif
133384	2015-03-06	cif/ Updating files of 7033370, 7033371, 7033372 Original log message: Adding full bibliography for 7033370--7033372.cif.	7033372.cif
128489	2014-12-09	cif/ Adding structures of 7033370, 7033371, 7033372 via cif-deposit CGI script.	7033372.cif