Crystallography Open Database

Information card for entry 4070541

Preview

Coordinates	4070541.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,1,1,2,3,3,4,5,5,7,7,8,8,10,10,11,12,12,13,14,14,14-Eicosamethyl- 2,6,6,9,9,13-hexakis(trimethylsilyl)-4,11- bis[1',1',2?,3',3',3'-hexaamethyl-2'- bis(trimethylsilyl)-trisilanyl]tetradecasilane
Formula	C58 H174 Si28
Calculated formula	C58 H174 Si28
SMILES	C[Si](C)([Si]([Si](C)(C)[Si](C)([Si](C)(C)[Si](C)([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)[Si](C)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)[Si]([Si](C)(C)[Si](C)([Si](C)(C)[Si](C)([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)[Si](C)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
Title of publication	Nanoscale Double-Core Oligosilane Dendrimers: Synthesis, Structure, and Electronic Properties
Authors of publication	Krempner, Clemens; Köckerling, Martin
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	3
Pages of publication	346
a	24.622 ± 0.002 Å
b	14.719 ± 0.002 Å
c	32.45 ± 0.003 Å
α	90°
β	111.04 ± 0.006°
γ	90°
Cell volume	10976 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
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	0.1998
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.1546
Weighted residual factors for all reflections included in the refinement	0.1819
Goodness-of-fit parameter for all reflections included in the refinement	0.904
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
178594 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/05.	4070541.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070541.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070541.cif
42549	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070541 via cif-deposit CGI script.	4070541.cif