Crystallography Open Database

Information card for entry 4070935

Preview

Coordinates	4070935.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H48 Cl2 Si2 Zr
Calculated formula	C33 H48 Cl2 Si2 Zr
SMILES	[Zr]12345678(Cl)([c]9([c]%101c(c(c(c([c]2%10[c]13c(c(c(c([c]491)C)C)C)C)C)C)C)C)C)(Cl)[cH]1[c]5([Si](C)(C)C)[cH]6[cH]7[c]81[Si](C)(C)C
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	15.7039 ± 0.0016 Å
b	13.2091 ± 0.0014 Å
c	32.361 ± 0.003 Å
α	90°
β	101.991 ± 0.002°
γ	90°
Cell volume	6566.3 ± 1.1 Å³
Cell temperature	145 ± 2 K
Ambient diffraction temperature	145 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0761
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1254
Weighted residual factors for all reflections included in the refinement	0.1363
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
178598 (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 4/07/09.	4070935.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070935.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070935.cif
42860	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070935 via cif-deposit CGI script.	4070935.cif