Crystallography Open Database

Information card for entry 4068959

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Structure parameters

Formula	C115 H100 B2 Cl2 F40 N4 O2 Si2
Calculated formula	C115 H100 B2 Cl2 F40 N4 O2 Si2
Title of publication	From an N-Heterocyclic Silacyclopropene to Donor-Supported Silacyclopropenylium Cations
Authors of publication	Yao, Shenglai; Xiong, Yun; van Wüllen, Christoph; Driess, Matthias
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	6
Pages of publication	1610
a	17.2151 ± 0.0004 Å
b	16.0582 ± 0.0004 Å
c	20.262 ± 0.0005 Å
α	90°
β	95.557 ± 0.002°
γ	90°
Cell volume	5575 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
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	0.1148
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0576
Weighted residual factors for all reflections included in the refinement	0.0662
Goodness-of-fit parameter for all reflections included in the refinement	0.756
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301829 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure.	4068959.cif
178579	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/89.	4068959.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068959.cif
40061	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068957, 4068958, 4068959 via cif-deposit CGI script.	4068959.cif