Crystallography Open Database

Information card for entry 4086496

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Structure parameters

Formula	C44 H116 O4 Si12 Sm2
Calculated formula	C44 H116 O4 Si12 Sm2
SMILES	C([SiH](C)C)([SiH](C)C)([SiH](C)C)[Sm]([O]1CCCC1)(C([SiH](C)C)([SiH](C)C)[SiH](C)C)[O]1CCCC1
Title of publication	Homoleptic Divalent Dialkyl Lanthanide-Catalyzed Cross-Dehydrocoupling of Silanes and Amines
Authors of publication	Pindwal, Aradhana; Ellern, Arkady; Sadow, Aaron D.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	11
Pages of publication	1674
a	23.181 ± 0.003 Å
b	9.3319 ± 0.0011 Å
c	18.901 ± 0.002 Å
α	90°
β	121.725 ± 0.0015°
γ	90°
Cell volume	3477.8 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.025
Residual factor for significantly intense reflections	0.0211
Weighted residual factors for significantly intense reflections	0.0471
Weighted residual factors for all reflections included in the refinement	0.049
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
301831 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure.	4086496.cif
183603	2016-06-17	cif/ Updating files of 4086496, 4086497, 4086498 Original log message: Adding full bibliography for 4086496--4086498.cif.	4086496.cif
182645	2016-05-06	cif/ Adding structures of 4086496, 4086497, 4086498 via cif-deposit CGI script.	4086496.cif