Crystallography Open Database

Information card for entry 4512598

Preview

Coordinates	4512598.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H30 Ag6 Gd2 N12 O33
Calculated formula	C36 H30 Ag6 Gd2 N12 O33
Title of publication	Pyrazine-2,3-Carboxylate Based Ag+Homometallic and Ln3±-Ag+Heterometallic Coordination Frameworks: Synthesis, Structures, and Magnetic Properties
Authors of publication	Zhang, Fengming; Zou, Xiaoyan; Yan, Pengfei; Sun, Jingwen; Hou, Guangfeng; Li, Guangming
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	3
Pages of publication	1249
a	13.8475 ± 0.0007 Å
b	15.1719 ± 0.0008 Å
c	16.477 ± 0.0008 Å
α	75.798 ± 0.004°
β	81.449 ± 0.004°
γ	63.074 ± 0.005°
Cell volume	2989.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0581
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1071
Weighted residual factors for all reflections included in the refinement	0.1161
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
179672 (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 4/51/25.	4512598.cif
134740	2015-04-04	cif/ Updating files of 4512597, 4512598, 4512599, 4512600, 4512601, 4512602 Original log message: Adding full bibliography for 4512597--4512602.cif.	4512598.cif
130355	2015-02-04	cif/ Adding structures of 4512597, 4512598, 4512599, 4512600, 4512601, 4512602 via cif-deposit CGI script.	4512598.cif