Crystallography Open Database

Information card for entry 7710048

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Coordinates	7710048.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	sodium di-tert-butyl indenide tris(dimethoxyethane) adduct
Formula	C29 H53 Na O6
Calculated formula	C29 H53 Na O6
SMILES	[Na]123([O](C)CC[O]1C)([O](C)CC[O]2C)[O](CC[O]3C)C.[cH-]1c(c2ccccc2c1C(C)(C)C)C(C)(C)C
Title of publication	Bis(di-<i>tert</i>-butylindenyl)tetrelocenes.
Authors of publication	Staub, Liane Hildegard; Lambert, Jessica; Müller, Carsten; Morgenstern, Bernd; Zimmer, Michael; Warken, Joshua; Koldemir, Aylin; Block, Theresa; Pöttgen, Rainer; Schäfer, André
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
a	11.6172 ± 0.0002 Å
b	15.965 ± 0.0003 Å
c	17.7264 ± 0.0004 Å
α	90°
β	103.59 ± 0.001°
γ	90°
Cell volume	3195.64 ± 0.11 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	4
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	0.0581
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.095
Weighted residual factors for all reflections included in the refinement	0.1059
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
274558 (current)	2022-04-16	cif/ Adding structures of 7710047, 7710048, 7710049, 7710050, 7710051 via cif-deposit CGI script.	7710048.cif