Crystallography Open Database

Information card for entry 4085572

Preview

Coordinates	4085572.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H88 B2 O4 P2 Si4 Sr2
Calculated formula	C44 H88.94 B2 O4 P2 Si4 Sr2
Title of publication	Structural Diversity in Alkaline Earth Metal Complexes of a Phosphine-Borane-Stabilized 1,3-Dicarbanion
Authors of publication	Izod, Keith; Wills, Corinne; El-Hamruni, Salima; Harrington, Ross W.; Waddell, Paul G.; Probert, Michael R.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	11
Pages of publication	2406
a	11.9018 ± 0.00016 Å
b	18.8304 ± 0.0002 Å
c	13.3818 ± 0.0002 Å
α	90°
β	109.347 ± 0.0016°
γ	90°
Cell volume	2829.72 ± 0.07 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	7
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	0.0446
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0937
Weighted residual factors for all reflections included in the refinement	0.0997
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178744 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/55.	4085572.cif
140246	2015-07-05	cif/ Updating files of 4085571, 4085572, 4085573, 4085574 Original log message: Adding full bibliography for 4085571--4085574.cif.	4085572.cif
132562	2015-02-28	cif/ Adding structures of 4085571, 4085572, 4085573, 4085574 via cif-deposit CGI script.	4085572.cif