Crystallography Open Database

Information card for entry 4508786

Preview

Coordinates	4508786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H13 Er N O10 P
Calculated formula	C5 H7 Er N O10 P
Title of publication	Luminescent Lanthanide(III) Carboxylate−Phosphonates with Helical Tunnels
Authors of publication	Tang, Si-Fu; Song, Jun-Ling; Li, Xiu-Ling; Mao, Jiang-Gao
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	10
Pages of publication	2322
a	9.0085 ± 0.0015 Å
b	9.0085 ± 0.0015 Å
c	15.799 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1282.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0242
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.0542
Weighted residual factors for all reflections included in the refinement	0.0547
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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
179623 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/87.	4508786.cif
96927	2014-01-29	cif/ Adding structures of 4508786 via cif-deposit CGI script.	4508786.cif