Crystallography Open Database

Information card for entry 1550550

Preview

Coordinates	1550550.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H116 B2 Cd2 I2 N6 Si2
Calculated formula	C94 H116 B2 Cd2 I2 N6 Si2
SMILES	[I]1[Cd]([I][Cd]1N([Si](c1ccccc1)(c1ccccc1)c1ccccc1)B1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)N([Si](c1ccccc1)(c1ccccc1)c1ccccc1)B1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.CCCCCC
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	23.4536 ± 0.0017 Å
b	11.0309 ± 0.0007 Å
c	33.833 ± 0.002 Å
α	90°
β	92.003 ± 0.003°
γ	90°
Cell volume	8747.7 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0853
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for significantly intense reflections	0.1241
Weighted residual factors for all reflections included in the refinement	0.1299
Goodness-of-fit parameter for all reflections included in the refinement	1.248
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.	1550550.cif