Crystallography Open Database

Information card for entry 4068983

Preview

Coordinates	4068983.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H62 B2 O P2 Si4 Sn
Calculated formula	C18 H52 B2 P2 Si4 Sn
SMILES	C[Si](C)([C@@]1([Sn][C@@]([P]([BH3])(C)C)([Si](C)(C)C)[Si](C)(C)CC[Si]1(C)C)[P]([BH3])(C)C)C.C[Si](C)([C@]1([Sn][C@]([P]([BH3])(C)C)([Si](C)(C)C)[Si](C)(C)CC[Si]1(C)C)[P]([BH3])(C)C)C
Title of publication	Seven-Membered Cyclic Dialkylstannylene and -Plumbylene Compounds Stabilized by Agostic-type B−H···E Interactions [E = Sn, Pb]
Authors of publication	Izod, Keith; Wills, Corinne; Clegg, William; Harrington, Ross W.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	7
Pages of publication	2211
a	16.22 ± 0.004 Å
b	20.048 ± 0.007 Å
c	21.707 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	7059 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	73
Hermann-Mauguin space group symbol	I b c a
Hall space group symbol	-I 2b 2c
Residual factor for all reflections	0.0863
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.0904
Weighted residual factors for all reflections included in the refinement	0.1015
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
178579 (current)	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.	4068983.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068983.cif
40074	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068983, 4068984 via cif-deposit CGI script.	4068983.cif