Crystallography Open Database

Information card for entry 4320903

4320902 << 4320903 >> 4320904

Preview

Coordinates	4320903.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Sr(thd)2(THF)4]
Formula	C38 H70 O8 Sr
Calculated formula	C38 H70 O8 Sr
SMILES	C(=[O]1)(C=C(C(C)(C)C)O[Sr]12([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)OC(=CC(=[O]2)C(C)(C)C)C(C)(C)C)C(C)(C)C
Title of publication	Low-Melting, Mononuclear Tetrahydrofuran Complexes of M(2,2,6,6-tetramethylheptane-3,5-dionate)2 (M = Ba, Sr) and Related Analogues
Authors of publication	Witold Paw; Thomas H. Baum; Kin-Chung Lam; Arnold L. Rheingold
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	2011 - 2014
a	19.9087 ± 0.0003 Å
b	9.6863 ± 0.0002 Å
c	23.0043 ± 0.0005 Å
α	90°
β	109.242 ± 0.0009°
γ	90°
Cell volume	4188.37 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.093
Residual factor for significantly intense reflections	0.0685
Weighted residual factors for significantly intense reflections	0.1668
Weighted residual factors for all reflections included in the refinement	0.1849
Goodness-of-fit parameter for all reflections included in the refinement	1.626
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
179312 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/09.	4320903.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320903.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320903.cif
18225	2011-04-28	../uploads/cif-deposit/cod/cif Adding structures of 4320903 via cif-deposit CGI script.	4320903.cif