Crystallography Open Database

Information card for entry 4083708

Preview

Coordinates	4083708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H16 B2 Ca O
Calculated formula	C4 H16 B2 Ca O
Title of publication	Stoichiometric and Catalytic Reactivity oftert-Butylamine‒Borane with Calcium Silylamides
Authors of publication	Bellham, Peter; Hill, Michael S.; Kociok-Köhn, Gabriele
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	20
Pages of publication	5716
a	4.3659 ± 0.0003 Å
b	12.3208 ± 0.0008 Å
c	15.5787 ± 0.001 Å
α	90°
β	92.09 ± 0.004°
γ	90°
Cell volume	837.44 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.1557
Residual factor for significantly intense reflections	0.1241
Weighted residual factors for significantly intense reflections	0.3206
Weighted residual factors for all reflections included in the refinement	0.343
Goodness-of-fit parameter for all reflections included in the refinement	1.172
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
178726 (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 4/08/37.	4083708.cif
126004	2014-10-30	cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds.	4083708.cif
117903	2014-06-20	cif/ Adding structures of 4083706, 4083707, 4083708 via cif-deposit CGI script.	4083708.cif