Crystallography Open Database

Information card for entry 4337741

Preview

Coordinates	4337741.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H59 F6 Fe N7 O7 S2
Calculated formula	C48 H59 F6 Fe N7 O7 S2
Title of publication	Synthesis and characterization of divalent manganese, iron, and cobalt complexes in tripodal phenolate/n-heterocyclic carbene ligand environments.
Authors of publication	Käß, Martina; Hohenberger, Johannes; Adelhardt, Mario; Zolnhofer, Eva M.; Mossin, Susanne; Heinemann, Frank W.; Sutter, Jörg; Meyer, Karsten
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	5
Pages of publication	2460 - 2470
a	11.8382 ± 0.0003 Å
b	15.215 ± 0.0004 Å
c	15.3292 ± 0.0004 Å
α	88.652 ± 0.002°
β	69.946 ± 0.001°
γ	84.812 ± 0.001°
Cell volume	2582.96 ± 0.12 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0806
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1112
Weighted residual factors for all reflections included in the refinement	0.1263
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4337741.cif
107713	2014-03-22	cif/ Adding structures of 4337726, 4337727, 4337728, 4337729, 4337730, 4337731, 4337732, 4337733, 4337734, 4337735, 4337736, 4337737, 4337738, 4337739, 4337740, 4337741, 4337742, 4337743 via cif-deposit CGI script.	4337741.cif