Crystallography Open Database

Information card for entry 4334990

Preview

Coordinates	4334990.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H46 F36 Fe2 K2 N12
Calculated formula	C80 H46 F36 Fe2 K2 N12
Title of publication	Correction to 2,2'-Pyridylpyrrolide Ligand Redistribution Following Reduction
Authors of publication	Keith Searles; Atanu K. Das; René W. Buell; Maren Pink; Chun-Hsing Chen; Kuntal Pal; David Gene Morgan; Daniel J. Mindiola; Kenneth G. Caulton
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	6231 - 6231
a	32.8931 ± 0.0011 Å
b	10.007 ± 0.0004 Å
c	27.0087 ± 0.0009 Å
α	90°
β	114.266 ± 0.002°
γ	90°
Cell volume	8104.7 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0633
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1125
Weighted residual factors for all reflections included in the refinement	0.1238
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179452 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/49.	4334990.cif
100876	2014-02-07	cif/ Adding structures of 4334990 via cif-deposit CGI script.	4334990.cif