Crystallography Open Database

Information card for entry 4073120

Preview

Coordinates	4073120.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 B N
Calculated formula	C20 H24 B N
Title of publication	Reactions of β-Diketiminate-Stabilized Calcium Amides with 9-Borabicyclo[3.3.1]nonane (9-BBN)
Authors of publication	Barrett, Anthony G. M.; Crimmin, Mark R.; Hill, Michael S.; Hitchcock, Peter B.; Procopiou, Panayiotis A.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	16
Pages of publication	4076
a	10.1918 ± 0.0002 Å
b	27.4592 ± 0.0005 Å
c	18.0685 ± 0.0002 Å
α	90°
β	99.252 ± 0.001°
γ	90°
Cell volume	4990.84 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0868
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1158
Weighted residual factors for all reflections included in the refinement	0.1326
Goodness-of-fit parameter for all reflections included in the refinement	0.993
Diffraction radiation probe	x-ray
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
178620 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/31.	4073120.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073120.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073120.cif
46172	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073120 via cif-deposit CGI script.	4073120.cif