Crystallography Open Database

Information card for entry 4339767

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Coordinates	4339767.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Zirconium
Chemical name	Zirconium Disilyl triamdie and Zirconium pentaamide dilithium tetra THF
Formula	C64 H118 Li2 N8 O4 Si2 Zr2
Calculated formula	C64 H118 Li2 N8 O4 Si2 Zr2
SMILES	CN([Zr](N(C)C)([Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(N(C)C)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C.[N]1(C)([Zr]([N](C)(C)[Li]1([O]1CCCC1)[O]1CCCC1)([N]1(C)C)([N](C)(C)[Li]1([O]1CCCC1)[O]1CCCC1)N(C)C)C
Title of publication	Amide-silyl ligand exchanges and equilibria among group 4 amide and silyl complexes.
Authors of publication	Cai, Hu; Yu, Xianghua; Chen, Shujian; Qiu, He; Guzei, Ilia A.; Xue, Zi-Ling
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	19
Pages of publication	8071 - 8078
a	25.145 ± 0.003 Å
b	17.77 ± 0.003 Å
c	16.346 ± 0.003 Å
α	90°
β	97.789 ± 0.003°
γ	90°
Cell volume	7236 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.0567
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.103
Weighted residual factors for all reflections included in the refinement	0.1169
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
179500 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/97.	4339767.cif
117529	2014-06-15	cif/ Adding structures of 4339767 via cif-deposit CGI script.	4339767.cif