Crystallography Open Database

Information card for entry 4120529

4120528 << 4120529 >> 4120530

Preview

Coordinates	4120529.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H36 Al Cl3 N4
Calculated formula	C30 H36 Al Cl3 N4
Title of publication	The elusive three-coordinate dicationic hydrido boron complex.
Authors of publication	Chen, Wen-Ching; Lee, Ching-Yu; Lin, Bo-Chao; Hsu, Yu-Chen; Shen, Jiun-Shian; Hsu, Chao-Ping; Yap, Glenn P. A.; Ong, Tiow-Gan
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	3
Pages of publication	914 - 917
a	34.7075 ± 0.0009 Å
b	11.0418 ± 0.0003 Å
c	15.8058 ± 0.0004 Å
α	90°
β	99.887 ± 0.002°
γ	90°
Cell volume	5967.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0917
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1379
Weighted residual factors for all reflections included in the refinement	0.1558
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
178982 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/05.	4120529.cif
106555	2014-03-15	cif/ Adding structures of 4120529 via cif-deposit CGI script.	4120529.cif