Crystallography Open Database

Information card for entry 4108135

Preview

Coordinates	4108135.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(C3H7)4N][C(NH2)3]CO3[B(OH)3]2
Formula	C14 H40 B2 N4 O9
Calculated formula	C14 H40 B2 N4 O9
Title of publication	Designed Supramolecular Assembly of Hydrogen-Bonded Anionic Rosette Layers
Authors of publication	Jie Han; Chung-Wah Yau; Chi-Keung Lam; Thomas C. W. Mak
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	10315 - 10326
a	16.024 ± 0.006 Å
b	13.854 ± 0.005 Å
c	11.651 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2586.5 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1214
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.2183
Weighted residual factors for all reflections included in the refinement	0.2621
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
178827 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/81.	4108135.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108135.cif
56471	2012-05-11	cif/ Adding structures of 4108135 via cif-deposit CGI script.	4108135.cif