Crystallography Open Database

Information card for entry 7033936

Preview

Coordinates	7033936.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 Ru
Calculated formula	C10 H10 Ru
SMILES	[cH]12[cH]3[cH]4[Ru]5678913([cH]1[cH]5[cH]6[cH]9[cH]81)[cH]2[cH]47
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	7.1076 ± 0.0012 Å
b	8.9737 ± 0.0016 Å
c	12.782 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	815.3 ± 0.2 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 ± 2 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0206
Residual factor for significantly intense reflections	0.019
Weighted residual factors for significantly intense reflections	0.0452
Weighted residual factors for all reflections included in the refinement	0.0465
Goodness-of-fit parameter for all reflections included in the refinement	1.165
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7033936.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.	7033936.cif
131617	2015-02-10	cif/ Adding structures of 7033930, 7033931, 7033932, 7033933, 7033934, 7033935, 7033936, 7033937 via cif-deposit CGI script.	7033936.cif