Crystallography Open Database

Information card for entry 4083048

Preview

Coordinates	4083048.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H68 N2 Th2
Calculated formula	C49 H68 N2 Th2
Title of publication	Structural Diversity in Cyanido Thorocene Complexes
Authors of publication	Hervé, Alexandre; Thuéry, Pierre; Ephritikhine, Michel; Berthet, Jean-Claude
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	8
Pages of publication	2088
a	12.5929 ± 0.0005 Å
b	23.6561 ± 0.0006 Å
c	14.5519 ± 0.0005 Å
α	90°
β	90.321 ± 0.002°
γ	90°
Cell volume	4334.9 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.0479
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0531
Weighted residual factors for all reflections included in the refinement	0.0566
Goodness-of-fit parameter for all reflections included in the refinement	0.987
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
178719 (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 4/08/30.	4083048.cif
112798	2014-05-04	cif/ Updating files of 4083046, 4083047, 4083048, 4083049, 4083050 Original log message: Adding full bibliography for 4083046--4083050.cif.	4083048.cif
109609	2014-04-17	cif/ Adding structures of 4083046, 4083047, 4083048, 4083049, 4083050 via cif-deposit CGI script.	4083048.cif