Crystallography Open Database

Information card for entry 4307975

Preview

Coordinates	4307975.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H54 B2 Mg P2 Si4
Calculated formula	C18 H54 B2 Mg P2 Si4
SMILES	[Mg]1234([H][BH]([P](C2([Si](C)(C)C)[Si](C)(C)C)(C)C)[H]1)[H][BH]([P](C4([Si](C)(C)C)[Si](C)(C)C)(C)C)[H]3
Title of publication	Alkaline Earth Metal Complexes of a Phosphine-Borane-Stabilized Carbanion: Synthesis, Structures, and Stabilities
Authors of publication	Keith Izod; Corinne Wills; William Clegg; Ross W. Harrington
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	4320 - 4325
a	15.8 ± 0.002 Å
b	8.9292 ± 0.0013 Å
c	44.332 ± 0.007 Å
α	90°
β	96.972 ± 0.002°
γ	90°
Cell volume	6208.2 ± 1.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0589
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1198
Weighted residual factors for all reflections included in the refinement	0.1209
Goodness-of-fit parameter for all reflections included in the refinement	1.204
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
179117 (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 4/30/79.	4307975.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307975.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307975.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307975.cif