Crystallography Open Database

Information card for entry 7203002

7203001 << 7203002 >> 7203003

Preview

Coordinates	7203002.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H14 N3 Nd O10 S3
Calculated formula	C9 H14 N3 Nd O10 S3
Title of publication	Versatile lanthanide coordination assemblies due to the synergistic effect of lanthanide contraction and flexibility of a flexible tricarboxylate ligand
Authors of publication	Wang, Su-Na; Sun, Ran; Wang, Xiao-Shi; Li, Yi-Zhi; Pan, Yi; Bai, Junfeng; Scheer, Manfred; You, Xiao-Zeng
Journal of publication	CrystEngComm
Year of publication	2007
Journal volume	9
Journal issue	11
Pages of publication	1051
a	8.8368 ± 0.0018 Å
b	14.529 ± 0.003 Å
c	15.467 ± 0.003 Å
α	90°
β	121.3 ± 0.03°
γ	90°
Cell volume	1696.8 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0842
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1549
Weighted residual factors for all reflections included in the refinement	0.172
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
180361 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/30.	7203002.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203002.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203002.cif
1188	2010-06-06	cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories.	7203002.cif