Crystallography Open Database

Information card for entry 4070331

Preview

Coordinates	4070331.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H108 Fe2
Calculated formula	C84 H108 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	17.598 ± 0.008 Å
b	17.598 ± 0.008 Å
c	46.42 ± 0.02 Å
α	90°
β	90°
γ	90°
Cell volume	14376 ± 11 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	3
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d :2
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.0616
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0796
Weighted residual factors for all reflections included in the refinement	0.096
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	4070331.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4070331.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070331.cif
40691	2012-03-08	../uploads/cif-deposit/cod/cif Adding structures of 4070328, 4070329, 4070330, 4070331 via cif-deposit CGI script.	4070331.cif