Crystallography Open Database

Information card for entry 4071669

Preview

Coordinates	4071669.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H44 Hf O2 Si
Calculated formula	C32 H44 Hf O2 Si
SMILES	C1(=C(C(=O)O[Hf]234567891([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C)[Si](C)(C)C)c1ccccc1
Title of publication	Synthesis and Reactions of Cp*2Hf(η2-PhC2SiMe3) with Water and Carbon Dioxide†
Authors of publication	Beweries, Torsten; Burlakov, Vladimir V.; Peitz, Stephan; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Rosenthal, Uwe
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	15
Pages of publication	3954
a	10.2069 ± 0.0005 Å
b	17.1456 ± 0.0004 Å
c	17.6053 ± 0.0006 Å
α	90°
β	105.079 ± 0.003°
γ	90°
Cell volume	2974.9 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0259
Residual factor for significantly intense reflections	0.0175
Weighted residual factors for significantly intense reflections	0.0375
Weighted residual factors for all reflections included in the refinement	0.0387
Goodness-of-fit parameter for all reflections included in the refinement	0.919
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
178605 (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 4/07/16.	4071669.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071669.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071669.cif
43969	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071669 via cif-deposit CGI script.	4071669.cif