Crystallography Open Database

Information card for entry 4113998

Preview

Coordinates	4113998.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H32 B F15 Hf Si
Calculated formula	C49 H32 B F15 Hf Si
Title of publication	Cationic Hafnium Silyl Complexes and Their Enhanced Reactivity in σ-Bond Metathesis Processes with Si-H and C-H Bonds
Authors of publication	Aaron D. Sadow; T. Don Tilley
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	9462 - 9475
a	20.1825 ± 0.0002 Å
b	21.129 ± 0.0005 Å
c	10.016 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	4271.18 ± 0.14 Å³
Cell temperature	174.2 K
Ambient diffraction temperature	174.2 K
Number of distinct elements	6
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0886
Residual factor for significantly intense reflections	0.035
Weighted residual factors for all reflections	0.0441
Weighted residual factors for significantly intense reflections	0.032
Weighted residual factors for all reflections included in the refinement	0.032
Goodness-of-fit parameter for all reflections included in the refinement	0.853
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4113998.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113998.cif
67275	2012-09-20	cif/ Adding structures of 4113998 via cif-deposit CGI script.	4113998.cif