Crystallography Open Database

Information card for entry 4070330

Preview

Coordinates	4070330.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C89 H119 Fe2
Calculated formula	C89 H119 Fe2
Title of publication	Methyl-Bridged Transition Metal Complexes (M = Cr−Fe) Supported by Bulky Terphenyl Ligands
Authors of publication	Ni, Chengbao; Power, Philip P.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	22
Pages of publication	6541
a	13.4414 ± 0.0007 Å
b	13.5328 ± 0.0006 Å
c	22.4499 ± 0.0012 Å
α	103.448 ± 0.001°
β	93.703 ± 0.002°
γ	99.797 ± 0.002°
Cell volume	3890.6 ± 0.3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0985
Weighted residual factors for all reflections included in the refinement	0.1019
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
178592 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/03.	4070330.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4070330.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070330.cif
40691	2012-03-08	../uploads/cif-deposit/cod/cif Adding structures of 4070328, 4070329, 4070330, 4070331 via cif-deposit CGI script.	4070330.cif