Crystallography Open Database

Information card for entry 4085242

Preview

Coordinates	4085242.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H78 B22 Fe2 Hg N2
Calculated formula	C42 H79 B22 Fe2 Hg N2
Title of publication	Salts of the Dianions [Hg(12-X-closo-1-CB11H10)2]2‒(X = I, C≡CH, C≡CFc, C≡CSiiPr3): Synthesis and Spectroscopic and Structural Characterization
Authors of publication	Himmelspach, Alexander; Warneke, Jonas; Schäfer, Marius; Hailmann, Michael; Finze, Maik
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	2
Pages of publication	462
a	34.91 ± 0.003 Å
b	11.8488 ± 0.0012 Å
c	13.3316 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	5514.5 ± 0.9 Å³
Cell temperature	166 ± 2 K
Ambient diffraction temperature	166 ± 2 K
Number of distinct elements	6
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	0.0922
Residual factor for significantly intense reflections	0.0692
Weighted residual factors for significantly intense reflections	0.119
Weighted residual factors for all reflections included in the refinement	0.1278
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
178741 (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 4/08/52.	4085242.cif
130782	2015-02-04	cif/ Updating files of 4085239, 4085240, 4085241, 4085242 Original log message: Adding full bibliography for 4085239--4085242.cif.	4085242.cif
129938	2015-01-17	cif/ Adding structures of 4085239, 4085240, 4085241, 4085242 via cif-deposit CGI script.	4085242.cif