Crystallography Open Database

Information card for entry 4305312

Preview

Coordinates	4305312.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H126 N10 O2 Sr2 Zr2
Calculated formula	C77 H126 N10 O2 Sr2 Zr2
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	12.296 ± 0.001 Å
b	13.611 ± 0.001 Å
c	13.597 ± 0.001 Å
α	77.8 ± 0.01°
β	65.73 ± 0.01°
γ	84.98 ± 0.01°
Cell volume	2027.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0219
Residual factor for significantly intense reflections	0.0211
Weighted residual factors for significantly intense reflections	0.0542
Weighted residual factors for all reflections included in the refinement	0.0546
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	4305312.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305312.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305312.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305312.cif