Crystallography Open Database

Information card for entry 4085573

Preview

Coordinates	4085573.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H47 B Ba O2 P Si2
Calculated formula	C22 H46.8 B Ba O2 P Si2
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	10.8258 ± 0.0003 Å
b	11.851 ± 0.0004 Å
c	14.1952 ± 0.0004 Å
α	100.457 ± 0.003°
β	103.592 ± 0.003°
γ	116.449 ± 0.003°
Cell volume	1496.77 ± 0.1 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.051
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.073
Weighted residual factors for all reflections included in the refinement	0.0771
Goodness-of-fit parameter for all reflections included in the refinement	0.945
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
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.	4085573.cif
140246	2015-07-05	cif/ Updating files of 4085571, 4085572, 4085573, 4085574 Original log message: Adding full bibliography for 4085571--4085574.cif.	4085573.cif
132562	2015-02-28	cif/ Adding structures of 4085571, 4085572, 4085573, 4085574 via cif-deposit CGI script.	4085573.cif