Crystallography Open Database

Information card for entry 4111865

Preview

Coordinates	4111865.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2(Et4N+)[C(NH2)3+][1,3,5-C6H3(COO-)3]6(H2O)
Formula	C26 H60 N5 O12
Calculated formula	C26 H60 N5 O12
Title of publication	Hydrogen-Bonded Anionic Rosette Networks Assembled with Guanidinium and C3-Symmetric Oxoanion Building Blocks
Authors of publication	Chi-Keung Lam; Feng Xue; Jie-Peng Zhang; Xiao-Ming Chen; Thomas C. W. Mak
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	11536 - 11537
a	12.0977 ± 0.0009 Å
b	20.9279 ± 0.0015 Å
c	14.5969 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3695.6 ± 0.5 Å³
Cell temperature	123 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0543
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1257
Weighted residual factors for all reflections included in the refinement	0.1316
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
178889 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/18.	4111865.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111865.cif
63477	2012-08-01	cif/ Adding structures of 4111865 via cif-deposit CGI script.	4111865.cif