Crystallography Open Database

Information card for entry 7034307

Preview

Coordinates	7034307.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H62 N2 O Si Zr
Calculated formula	C36 H62 N2 O Si Zr
SMILES	[Zr]1(N(c2c(cccc2C(C)C)C(C)C)[Si](N1c1c(cccc1C(C)C)C(C)C)(C(C)C)C(C)C)([O]1CCCC1)(C)C
Title of publication	Synthesis, characterisation, and dehydrocoupling ability of zirconium complexes bearing hindered bis(amido)silyl ligands.
Authors of publication	Lummis, Paul A.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	15
Pages of publication	7009 - 7020
a	11.3162 ± 0.0004 Å
b	13.2629 ± 0.0005 Å
c	24.9183 ± 0.0009 Å
α	90°
β	94.873 ± 0.0004°
γ	90°
Cell volume	3726.4 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0333
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.0726
Weighted residual factors for all reflections included in the refinement	0.0767
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
180049 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/43.	7034307.cif
134985	2015-04-06	cif/ Updating files of 7034303, 7034304, 7034305, 7034306, 7034307, 7034308 Original log message: Adding full bibliography for 7034303--7034308.cif.	7034307.cif
133596	2015-03-07	cif/ Adding structures of 7034303, 7034304, 7034305, 7034306, 7034307, 7034308 via cif-deposit CGI script.	7034307.cif