Crystallography Open Database

Information card for entry 4311391

Preview

Coordinates	4311391.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H18 Gd N13 O
Calculated formula	C26 H16 Gd N13 O
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	11.394 ± 0.001 Å
b	15.5392 ± 0.0011 Å
c	15.9601 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	2825.8 ± 0.4 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	0.0384
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0713
Weighted residual factors for all reflections included in the refinement	0.0737
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	4311391.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311391.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311391.cif
2890	2010-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4311391 via cif-deposit CGI script.	4311391.cif