Crystallography Open Database

Information card for entry 7006945

Preview

Coordinates	7006945.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H28 O3.5 S3 Si W
Calculated formula	C23 H26.7265 O3.5 S3 Si W
Title of publication	Novel tripod ligands for prickly self-assembled monolayers.
Authors of publication	Weidner, Tobias; Krämer, Andreas; Bruhn, Clemens; Zharnikov, Michael; Shaporenko, Andrey; Siemeling, Ulrich; Träger, Frank
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	23
Pages of publication	2767 - 2777
a	9.8433 ± 0.0004 Å
b	41.729 ± 0.002 Å
c	13.1267 ± 0.0005 Å
α	90°
β	91.271 ± 0.003°
γ	90°
Cell volume	5390.5 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0644
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.0928
Goodness-of-fit parameter for all reflections included in the refinement	0.947
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7006945.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006945.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006945.cif
31985	2012-01-04	cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'.	7006945.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7006945.cif