Crystallography Open Database

Information card for entry 4089460

Preview

Coordinates	4089460.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H70 Ge N2 Si7 Ti
Calculated formula	C37 H70 Ge N2 Si7 Ti
SMILES	[Ti]12345678([Ge]9[Si]([Si]([Si]9([Si](C)(C)C)[Si](C)(C)C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([cH]9[cH]1[cH]2[cH]3[cH]49)([cH]1[cH]5[cH]6[cH]7[cH]81)=C1N(C(=C(N1C)C)C)C.c1ccccc1
Title of publication	Coordination Chemistry of Disilylated Germylenes with Group 4 Metallocenes.
Authors of publication	Hlina, Johann; Baumgartner, Judith; Marschner, Christoph; Zark, Patrick; Müller, Thomas
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	11
Pages of publication	3300 - 3308
a	14.964 ± 0.003 Å
b	17.594 ± 0.004 Å
c	18.433 ± 0.004 Å
α	85.49 ± 0.03°
β	87.54 ± 0.03°
γ	82 ± 0.03°
Cell volume	4788.4 ± 1.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0477
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.097
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
252052 (current)	2020-05-14	cif/4 Fixing Z values and formulae	4089460.cif
243649	2019-11-26	cif/ Adding structures of 4089457, 4089458, 4089459, 4089460 via cif-deposit CGI script.	4089460.cif