Crystallography Open Database

Information card for entry 4305313

Preview

Coordinates	4305313.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H67 N3 O Si2 Sr
Calculated formula	C39 H67 N3 O Si2 Sr
SMILES	[O]1([Sr]2(N([Si](C)(C)C)[Si](C)(C)C)[N](=C(C)C=C(N2c2c(cccc2C(C)C)C(C)C)C)c2c(cccc2C(C)C)C(C)C)CCCC1
Title of publication	A Reactivity Change of a Strontium Monohydroxide by Umpolung to an Acid
Authors of publication	Sankaranarayanapillai Sarish; Sharanappa Nembenna; Selvarajan Nagendran; Herbert W. Roesky; Aritra Pal; Regine Herbst-Irmer; Arne Ringe; Jörg Magull
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	5971 - 5977
a	11.5102 ± 0.0006 Å
b	18.3156 ± 0.0007 Å
c	20.0293 ± 0.0011 Å
α	90°
β	91.165 ± 0.004°
γ	90°
Cell volume	4221.6 ± 0.4 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 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	0.0599
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0777
Weighted residual factors for all reflections included in the refinement	0.0839
Goodness-of-fit parameter for all reflections included in the refinement	1
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
179091 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/53.	4305313.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305313.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305313.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305313.cif