Crystallography Open Database

Information card for entry 4331747

Preview

Coordinates	4331747.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H24 N3 O12 P3 U
Calculated formula	C9 H24 N3 O12 P3 U
Title of publication	Incorporation of Triazacyclononane into the Metal Phosphonate Backbones
Authors of publication	Bao, Song-Song; Chen, Gang-Sheng; Wang, Yin; Li, Yi-Zhi; Zheng, Li-Min; Luo, Qin-Hui
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	3
Pages of publication	1124 - 1129
a	11.818 ± 0.007 Å
b	11.355 ± 0.007 Å
c	14.866 ± 0.009 Å
α	90°
β	112.052 ± 0.011°
γ	90°
Cell volume	1849 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0685
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1171
Weighted residual factors for all reflections included in the refinement	0.1219
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
179420 (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 4/33/17.	4331747.cif
97856	2014-01-29	cif/ Adding structures of 4331747 via cif-deposit CGI script.	4331747.cif