Crystallography Open Database

Information card for entry 2243853

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Structure parameters

Chemical name	<i>catena</i>-Poly[[(<i>N</i>-methyldiethanolamine-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')strontium(II)]-di-μ~2~-isobutyrato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>']
Formula	C13 H27 N O6 Sr
Calculated formula	C13 H27 N O6 Sr
Title of publication	Synthesis and crystal structure of a one-dimensional chain-like strontium(II) coordination polymer built of <i>N</i>-methyldiethanolamine and isobutyrate ligands
Authors of publication	Seiss, Maximilian; Schmitz, Sebastian; Börner, Martin; Monakhov, Kirill Yu.
Journal of publication	Acta Crystallographica Section E
Year of publication	2021
Journal volume	77
Journal issue	7
Pages of publication	703 - 707
a	8.1516 ± 0.0002 Å
b	19.1921 ± 0.0006 Å
c	11.4288 ± 0.0003 Å
α	90°
β	99.295 ± 0.002°
γ	90°
Cell volume	1764.52 ± 0.08 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.021
Residual factor for significantly intense reflections	0.0181
Weighted residual factors for significantly intense reflections	0.0455
Weighted residual factors for all reflections included in the refinement	0.0464
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
266413 (current)	2021-06-12	cif/ hkl/ Adding structures of 2243853 via cif-deposit CGI script.	2243853.cif 2243853.hkl