Crystallography Open Database

Information card for entry 4301483

Preview

Coordinates	4301483.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H61 Fe4 N3 O12
Calculated formula	C36 H61 Fe4 N3 O12
Title of publication	New Findings in the Chemistry of Iron Carbonyls: The Previously Unreported [H4-nFe4(CO)12]n-(n= 1, 2) Series of Clusters, Which Fills the Gap with Ruthenium and Osmium
Authors of publication	Cristina Femoni; Maria Carmela Iapalucci; Giuliano Longoni; Stefano Zacchini; Salvatore Zarra
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	1599 - 1605
a	23.979 ± 0.003 Å
b	16.887 ± 0.002 Å
c	23.202 ± 0.003 Å
α	90°
β	113.636 ± 0.002°
γ	90°
Cell volume	8607.1 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1086
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1731
Weighted residual factors for all reflections included in the refinement	0.2059
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
179052 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/14.	4301483.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4301483.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301483.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4301483.cif