Crystallography Open Database

Information card for entry 4307222

Preview

Coordinates	4307222.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Neodymium carboxylate
Formula	C21 H15 N3 Nd2 O15
Calculated formula	C21 H9 N3 Nd2 O15
Title of publication	A New Series of Three-Dimensional Metal-Organic Framework, [M2(H2O)][C5N1H3(COO)2]3.2H2O, M = La, Pr, and Nd: Synthesis, Structure, and Properties
Authors of publication	Partha Mahata; Srinivasan Natarajan
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	1250 - 1258
a	8.9586 ± 0.0019 Å
b	17.246 ± 0.004 Å
c	15.406 ± 0.003 Å
α	90°
β	102.033 ± 0.004°
γ	90°
Cell volume	2327.9 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1119
Residual factor for significantly intense reflections	0.077
Weighted residual factors for significantly intense reflections	0.1225
Weighted residual factors for all reflections included in the refinement	0.1328
Goodness-of-fit parameter for all reflections included in the refinement	1.173
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
179110 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/72.	4307222.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307222.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307222.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307222.cif