Crystallography Open Database

Information card for entry 7033931

Preview

Coordinates	7033931.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 Fe
Calculated formula	C10 H10 Fe
Title of publication	Deformation twinning of ferrocene crystals assisted by the rotational mobility of cyclopentadienyl rings.
Authors of publication	Miyamoto, Yasuhiro; Takamizawa, Satoshi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	12
Pages of publication	5688 - 5691
a	5.934 ± 0.002 Å
b	7.607 ± 0.003 Å
c	9.038 ± 0.003 Å
α	90°
β	93.232 ± 0.007°
γ	90°
Cell volume	407.3 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0671
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1795
Weighted residual factors for all reflections included in the refinement	0.1858
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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
180045 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/39.	7033931.cif
134989	2015-04-06	cif/ Updating files of 7033930, 7033931, 7033932, 7033933, 7033934, 7033935, 7033936, 7033937 Original log message: Adding full bibliography for 7033930--7033937.cif.	7033931.cif
131617	2015-02-10	cif/ Adding structures of 7033930, 7033931, 7033932, 7033933, 7033934, 7033935, 7033936, 7033937 via cif-deposit CGI script.	7033931.cif