Crystallography Open Database

Information card for entry 1520228

1520227 << 1520228 >> 1520229

Preview

Coordinates	1520228.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H60 B F24 Fe N O P3
Calculated formula	C61 H60 B F24 Fe N O P3
Title of publication	Fe(iv) alkylidenes via protonation of Fe(ii) vinyl chelates and a comparative Mössbauer spectroscopic study
Authors of publication	Lindley, Brian M.; Swidan, Ala'aeddeen; Lobkovsky, Emil B.; Wolczanski, Peter T.; Adelhardt, Mario; Sutter, Jörg; Meyer, Karsten
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	8
Pages of publication	4730
a	19.963 ± 0.005 Å
b	17.492 ± 0.006 Å
c	19.586 ± 0.006 Å
α	90°
β	93.869 ± 0.014°
γ	90°
Cell volume	6824 ± 4 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	8
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0899
Residual factor for significantly intense reflections	0.0681
Weighted residual factors for significantly intense reflections	0.1825
Weighted residual factors for all reflections included in the refinement	0.1923
Goodness-of-fit parameter for all reflections included in the refinement	1.155
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520228.cif
153074	2015-08-08	cif/ Updating files of 1520227, 1520228, 1520229, 1520230 Original log message: Adding full bibliography for 1520227--1520230.cif.	1520228.cif
137847	2015-06-04	cif/ Adding structures of 1520227, 1520228, 1520229, 1520230 via cif-deposit CGI script.	1520228.cif