Crystallography Open Database

Information card for entry 4111864

Preview

Coordinates	4111864.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4(Et4N+)8[C(NH2)3+]3[(CO3)2-]3[(C2O4)2-]2(H2O)
Formula	C44 H124 N16 O28
Calculated formula	C29 H50 N26 O19
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	35.9775 ± 0.0016 Å
b	14.273 ± 0.0006 Å
c	11.9582 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	6140.6 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.141
Residual factor for significantly intense reflections	0.1013
Weighted residual factors for significantly intense reflections	0.2789
Weighted residual factors for all reflections included in the refinement	0.2935
Goodness-of-fit parameter for all reflections included in the refinement	1.939
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.	4111864.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111864.cif
63476	2012-08-01	cif/ Adding structures of 4111864 via cif-deposit CGI script.	4111864.cif