Crystallography Open Database

Information card for entry 4512398

Preview

Coordinates	4512398.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H8 N Nd O7 P2
Calculated formula	C3 H8 N Nd O7 P2
Title of publication	New 3D Lanthanide Phosphonates: Syntheses, Crystal Structure, Thermal Stability, Luminescence, and Magnetism
Authors of publication	Fu, Ruibiao; Hu, Shengmin; Wu, Xintao
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	12
Pages of publication	6197
a	8.202 ± 0.005 Å
b	10.383 ± 0.007 Å
c	10.07 ± 0.007 Å
α	90°
β	94.826 ± 0.01°
γ	90°
Cell volume	854.5 ± 1 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	0.074
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1881
Weighted residual factors for all reflections included in the refinement	0.1905
Goodness-of-fit parameter for all reflections included in the refinement	1.265
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
179670 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/23.	4512398.cif
131344	2015-02-07	cif/ Updating files of 4512398, 4512399, 4512400, 4512401 Original log message: Adding full bibliography for 4512398--4512401.cif.	4512398.cif
127615	2014-11-21	cif/ Adding structures of 4512398 via cif-deposit CGI script.	4512398.cif