Crystallography Open Database

Information card for entry 4085463

Preview

Coordinates	4085463.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H38 Cl2 F6 Fe O12 P2 S2
Calculated formula	C43 H34 Cl2 F6 Fe O10 P2 S2
Title of publication	Cooperative Metal‒Ligand Reactivity and Catalysis in Low-Spin Ferrous Alkoxides
Authors of publication	Chu, Wan-Yi; Zhou, Xiaoyuan; Rauchfuss, Thomas B.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	9
Pages of publication	1619
a	43.471 ± 0.003 Å
b	11.9162 ± 0.0006 Å
c	17.6349 ± 0.0011 Å
α	90°
β	90.34 ± 0.003°
γ	90°
Cell volume	9134.9 ± 1 Å³
Cell temperature	102 ± 2 K
Ambient diffraction temperature	102 ± 2 K
Number of distinct elements	8
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	0.0664
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1358
Weighted residual factors for all reflections included in the refinement	0.1456
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
178743 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/54.	4085463.cif
140253	2015-07-05	cif/ Updating files of 4085461, 4085462, 4085463, 4085464, 4085465 Original log message: Adding full bibliography for 4085461--4085465.cif.	4085463.cif
131291	2015-02-07	cif/ Adding structures of 4085461, 4085462, 4085463, 4085464, 4085465 via cif-deposit CGI script.	4085463.cif