Crystallography Open Database

Information card for entry 4325679

Preview

Coordinates	4325679.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H94.5 Fe2 K N9.5 O7 P
Calculated formula	C88 H94.5 Fe2 K N9.5 O7 P
Title of publication	Oxygen Activation and Intramolecular C-H Bond Activation by an Amidate-Bridged Diiron(II) Complex
Authors of publication	Matthew B. Jones; Kenneth I. Hardcastle; Karl S. Hagen; Cora E. MacBeth
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	6402 - 6404
a	13.7113 ± 0.0003 Å
b	21.1287 ± 0.0004 Å
c	28.9991 ± 0.0007 Å
α	90°
β	93.536 ± 0.001°
γ	90°
Cell volume	8385.1 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.0853
Residual factor for significantly intense reflections	0.0659
Weighted residual factors for significantly intense reflections	0.2006
Weighted residual factors for all reflections included in the refinement	0.2189
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4325679.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325679.cif
44752	2012-03-17	../uploads/cif-deposit/cod/cif Adding structures of 4325679 via cif-deposit CGI script.	4325679.cif