Crystallography Open Database

Information card for entry 4070933

Preview

Coordinates	4070933.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H48 O2 Si2 Zr
Calculated formula	C35 H48 O2 Si2 Zr
SMILES	[Zr]12345678([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)(C#[O])(C#[O])[c]1([cH]8[cH]7[c]6([Si](C)(C)C)[cH]51)[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	13.5735 ± 0.0019 Å
b	16.06 ± 0.002 Å
c	15.706 ± 0.002 Å
α	90°
β	100.134 ± 0.002°
γ	90°
Cell volume	3370.3 ± 0.8 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.0524
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1043
Weighted residual factors for all reflections included in the refinement	0.1086
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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.	4070933.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070933.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070933.cif
42855	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070933 via cif-deposit CGI script.	4070933.cif