Crystallography Open Database

Information card for entry 1550554

Preview

Coordinates	1550554.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C103 H120 N2 Si2 Zn2
Calculated formula	C103 H120 N2 Si2 Zn2
SMILES	[Zn](N([Si](C(C)C)(C(C)C)C(C)C)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)C[Zn]N([Si](C(C)C)(C(C)C)C(C)C)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1.CCCCC
Title of publication	Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis
Authors of publication	Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon
Journal of publication	Chemical Science
Year of publication	2019
a	14.8102 ± 0.0004 Å
b	18.9756 ± 0.0004 Å
c	31.5018 ± 0.0009 Å
α	90°
β	98.531 ± 0.002°
γ	90°
Cell volume	8755.1 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0634
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.0852
Weighted residual factors for all reflections included in the refinement	0.0917
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
213486 (current)	2019-02-05	cif/ Adding structures of 1550544, 1550545, 1550546, 1550547, 1550548, 1550549, 1550550, 1550551, 1550552, 1550553, 1550554 via cif-deposit CGI script.	1550554.cif