Crystallography Open Database

Information card for entry 4331782

Preview

Coordinates	4331782.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H42 B3 P2 Ti
Calculated formula	C12 H41 B3 P2 Ti
Title of publication	Titanium(II) and Titanium(III) Tetrahydroborates. Crystal Structures of [Li(Et2O)2][Ti2(BH4)5(PMe2Ph)4], Ti(BH4)3(PMe2Ph)2, and Ti(BH4)3(PEt3)2
Authors of publication	Goedde, Dean M.; Girolami, Gregory S.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	3
Pages of publication	1380 - 1388
a	8.0034 ± 0.0013 Å
b	18.148 ± 0.003 Å
c	30.347 ± 0.008 Å
α	86.89 ± 0.02°
β	83.636 ± 0.012°
γ	84.104 ± 0.012°
Cell volume	4353.3 ± 1.5 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1641
Residual factor for significantly intense reflections	0.0714
Weighted residual factors for significantly intense reflections	0.1834
Weighted residual factors for all reflections included in the refinement	0.2113
Goodness-of-fit parameter for all reflections included in the refinement	0.9
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
179420 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/17.	4331782.cif
97886	2014-01-29	cif/ Adding structures of 4331782 via cif-deposit CGI script.	4331782.cif