Crystallography Open Database

Information card for entry 4070934

Preview

Coordinates	4070934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H46 O2 Si2 Zr
Calculated formula	C34 H46 O2 Si2 Zr
Title of publication	Octa- and Nonamethylfluorenyl Complexes of Zr(II), Zr(IV), and Hf(IV). Investigation of Steric and Electronic Effects
Authors of publication	Bazinet, Patrick; Tilley, T. Don
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	6
Pages of publication	1267
a	11.8741 ± 0.0009 Å
b	15.1861 ± 0.0011 Å
c	18.4029 ± 0.0014 Å
α	90°
β	103.33 ± 0.001°
γ	90°
Cell volume	3229 ± 0.4 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.1026
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4070934.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070934.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070934.cif
42858	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070934 via cif-deposit CGI script.	4070934.cif