Crystallography Open Database

Information card for entry 4081328

Preview

Coordinates	4081328.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H35 B4 Ir Zr
Calculated formula	C20 H35 B4 Ir Zr
Title of publication	An Early‒Late Transition Metal Hybrid Analogue of Hexaborane(12)
Authors of publication	Anju, R. S.; Roy, Dipak Kumar; Mondal, Bijan; Ramkumar, V.; Ghosh, Sundargopal
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	16
Pages of publication	4618
a	20.1307 ± 0.0008 Å
b	13.6814 ± 0.0005 Å
c	8.1695 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2250.01 ± 0.15 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.0255
Residual factor for significantly intense reflections	0.0195
Weighted residual factors for significantly intense reflections	0.0431
Weighted residual factors for all reflections included in the refinement	0.0463
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
178702 (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 4/08/13.	4081328.cif
89203	2013-10-09	cif/ Adding structures of 4081328 via cif-deposit CGI script.	4081328.cif