Crystallography Open Database

Information card for entry 7113515

Preview

Coordinates	7113515.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	compound 2
Formula	C29 H52 B11 F Zr
Calculated formula	C29 H52 B11 F Zr
Title of publication	[Cp~2~ZrMe(12-μ-Me-1-closo-CB~11~HMe~10~)]: a transition metal complex of a highly-methylated carborane anion
Authors of publication	Ingleson, Michael J.; Clarke, Adam; Mahon, Mary F.; Rourke, Jonathan P.; Weller, Andrew S.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	15
Pages of publication	1930 - 1931
a	10.393 ± 0.0001 Å
b	23.415 ± 0.0002 Å
c	14.407 ± 0.0001 Å
α	90°
β	97.547 ± 0.001°
γ	90°
Cell volume	3475.6 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0522
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0899
Weighted residual factors for all reflections included in the refinement	0.0979
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7103821
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
210602 (current)	2018-09-09	cif/7/ Updating bibliography in entries 7103821, 7113515. Marking entry 7113515 as a duplicate of entry 7103821.	7113515.cif
180249	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/35.	7113515.cif
115103	2014-06-02	cif/ Adding structures of 7113515 via cif-deposit CGI script.	7113515.cif