Crystallography Open Database

Information card for entry 4071894

Preview

Coordinates	4071894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H42 B9 O2 Zr
Calculated formula	C25 H42 B9 O2 Zr
Title of publication	Synthesis, Structure, and Reactivity of Group 4 Metallacarboranes Bearing the Ligand [Me2C(C9H6)(C2B9H10)]3−
Authors of publication	Liu, Dongmei; Wang, Yaorong; Chan, Hoi-Shan; Tang, Yong; Xie, Zuowei
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	20
Pages of publication	5295
a	9.8791 ± 0.0006 Å
b	11.4486 ± 0.0007 Å
c	13.9799 ± 0.0009 Å
α	95.837 ± 0.001°
β	108.744 ± 0.001°
γ	93.901 ± 0.001°
Cell volume	1480.99 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0932
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.1746
Weighted residual factors for all reflections included in the refinement	0.2029
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
178607 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/18.	4071894.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4071894.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071894.cif
44099	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071889, 4071890, 4071891, 4071892, 4071893, 4071894 via cif-deposit CGI script.	4071894.cif