Crystallography Open Database

Information card for entry 4311392

Preview

Coordinates	4311392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H18 N13 O Sm
Calculated formula	C26 H16 N13 O Sm
Title of publication	Two Series of Novel Rare Earth Complexes with Dicyanamide [Ln(dca)2(phen)2(H2O)3][dca].(phen), (Ln = Pr, Gd, and Sm) and [Ln(dca)3(2,2'-bipy)2(H2O)]n, (Ln = Gd, Sm, and La): Syntheses, Crystal Structures, and Magnetic Properties
Authors of publication	A-Qing Wu; Fa-Kun Zheng; Wen-Tong Chen; Li-Zhen Cai; Guo-Cong Guo; Jin-Shun Huang; Zhen-Chao Dong; Yoshihiko Takano
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	4839 - 4845
a	11.378 ± 0.002 Å
b	15.625 ± 0.003 Å
c	16.048 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2853 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0517
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1097
Weighted residual factors for all reflections included in the refinement	0.1218
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
179152 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/13.	4311392.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311392.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311392.cif
2891	2010-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4311392 via cif-deposit CGI script.	4311392.cif