Crystallography Open Database

Information card for entry 4089697

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Structure parameters

Formula	C36 H81 Lu O12 Si3
Calculated formula	C36 H81 Lu O12 Si3
SMILES	[Lu]12(O[Si]([O]1C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(O[Si](OC(C)(C)C)(OC(C)(C)C)[O]2C(C)(C)C)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C
Title of publication	Synthesis and Characterization of Rare Earth Siloxide Complexes, M[OSi(OtBu)3]3(L)x where L is HOSi(OtBu)3 and x = 0 or 1
Authors of publication	Lapadula, Giuseppe; Conley, Matthew P.; Copéret, Christophe; Andersen, Richard A.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	34
Journal issue	11
Pages of publication	2271
a	23.815 ± 0.002 Å
b	13.5547 ± 0.0009 Å
c	31.154 ± 0.002 Å
α	90°
β	101.991 ± 0.002°
γ	90°
Cell volume	9837.2 ± 1.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.032
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.076
Weighted residual factors for all reflections included in the refinement	0.0771
Goodness-of-fit parameter for all reflections included in the refinement	1.201
Diffraction radiation probe	x-ray
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.	4089697.cif
243723	2019-11-26	cif/ Adding structures of 4089694, 4089695, 4089696, 4089697, 4089698, 4089699, 4089700, 4089701, 4089702, 4089703 via cif-deposit CGI script.	4089697.cif