Crystallography Open Database

Information card for entry 4305314

Preview

Coordinates	4305314.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100.5 H121 N4 O4 P2 Sr2
Calculated formula	C100.5 H121 N4 O4 P2 Sr2
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	15.6034 ± 0.0006 Å
b	13.3159 ± 0.0004 Å
c	23.0252 ± 0.0008 Å
α	90°
β	106.277 ± 0.003°
γ	90°
Cell volume	4592.3 ± 0.3 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	0.0519
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	0.981
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
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.	4305314.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305314.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305314.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305314.cif