Crystallography Open Database

Information card for entry 4331183

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Coordinates	4331183.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	5
Formula	C28 H45 B2 Cl2 N3
Calculated formula	C28 H45 B2 Cl2 N3
Title of publication	Donor-Acceptor Complexation and Dehydrogenation Chemistry of Aminoboranes
Authors of publication	Adam C. Malcolm; Kyle J. Sabourin; Robert McDonald; Michael J. Ferguson; Eric Rivard
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	12905 - 12916
a	9.3058 ± 0.0003 Å
b	9.467 ± 0.0003 Å
c	20.3326 ± 0.0007 Å
α	77.838 ± 0.0013°
β	85.7537 ± 0.0013°
γ	61.4232 ± 0.0015°
Cell volume	1536.99 ± 0.09 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0644
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1651
Weighted residual factors for all reflections included in the refinement	0.1675
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179414 (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 4/33/11.	4331183.cif
80646	2013-04-08	cif/ Adding structures of 4331183 via cif-deposit CGI script.	4331183.cif