Crystallography Open Database

Information card for entry 4084582

Preview

Coordinates	4084582.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H50 Fe
Calculated formula	C38 H50 Fe
Title of publication	Isolation and Structural Characterization of a Lewis Base-Free Monolithioferrocene
Authors of publication	Sasamori, Takahiro; Suzuki, Yuko; Tokitoh, Norihiro
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	22
Pages of publication	6696
a	5.9476 ± 0.0001 Å
b	16.4899 ± 0.0003 Å
c	16.5463 ± 0.0003 Å
α	90°
β	92.0537 ± 0.0011°
γ	90°
Cell volume	1621.74 ± 0.05 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0551
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1382
Weighted residual factors for all reflections included in the refinement	0.1397
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71075 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.	4084582.cif
131429	2015-02-07	cif/ Updating files of 4084581, 4084582 Original log message: Adding full bibliography for 4084581--4084582.cif.	4084582.cif
126048	2014-10-30	cif/ Adding structures of 4084581, 4084582 via cif-deposit CGI script.	4084582.cif