Crystallography Open Database

Information card for entry 4070898

Preview

Coordinates	4070898.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H78 B9 N9 Zr
Calculated formula	C38 H60 B9 N9 Zr
Title of publication	Synthesis, Structural Characterization, and Reactivity of Group 4 Metal Complexes Derived from 1-Indenyl-1,2-carborane
Authors of publication	Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	6
Pages of publication	1157
a	17.773 ± 0.002 Å
b	22.528 ± 0.003 Å
c	12.7374 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	5099.9 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0928
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.1716
Weighted residual factors for all reflections included in the refinement	0.2186
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
178597 (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 4/07/08.	4070898.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070898.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070898.cif
42831	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070893, 4070894, 4070895, 4070896, 4070897, 4070898, 4070899, 4070900, 4070901, 4070902 via cif-deposit CGI script.	4070898.cif