Crystallography Open Database

Information card for entry 4074906

Preview

Coordinates	4074906.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C93 H177 Cl6 N4 O2 Si12 Zr2
Calculated formula	C93 H177 Cl6 N4 O2 Si12 Zr2
Title of publication	Reduction of Tetravalent Group 4 Metal Complexes Supported by an Extremely Bulky, Unsymmetrically Substituted β-Diketiminato Ligand Leading to the Regioselective CN Bond Cleavage Giving Ring-Contracted Metal-Imido Complexes
Authors of publication	Hamaki, Hirofumi; Takeda, Nobuhiro; Tokitoh, Norihiro
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	10
Pages of publication	2457
a	11.6646 ± 0.0002 Å
b	18.3088 ± 0.0002 Å
c	28.9532 ± 0.0007 Å
α	74.582 ± 0.005°
β	82.573 ± 0.006°
γ	77.117 ± 0.006°
Cell volume	5794.7 ± 0.3 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0827
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.1158
Weighted residual factors for all reflections included in the refinement	0.1246
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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
178638 (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 4/07/49.	4074906.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074906.cif
48953	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4074906, 4074907, 4074908, 4074909, 4074910, 4074911, 4074912 via cif-deposit CGI script.	4074906.cif