Crystallography Open Database

Information card for entry 7009387

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Coordinates	7009387.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H33 N Si Zr
Calculated formula	C19 H33 N Si Zr
Title of publication	Structural characterization of M(s-cis-η4-C4H6)(Me4C5SiMe2NR) (M = Ti or Zr, R = CMe3 or CHCMe(1-C10H7))
Authors of publication	Dahlmann, Marc; Schottek, Jörg; Fröhlich, Roland; Kunz, Doris; Nissinen, Maija; Erker, Gerhard; Fink, Gerhard; Kleinschmidt, Ralph
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	12
Pages of publication	1881
a	10.338 ± 0.002 Å
b	12.819 ± 0.002 Å
c	15.032 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1992.1 ± 0.8 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0991
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0964
Weighted residual factors for all reflections included in the refinement	0.1173
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
179797 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/93.	7009387.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009387.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009387.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009387.cif