Crystallography Open Database

Information card for entry 7210178

Preview

Coordinates	7210178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 Cu Gd N5 O12
Calculated formula	C16 H16 Cu Gd N5 O12
Title of publication	Series of novel 3D microporous heterometallic 3d‒4f coordination frameworks with (5,6)-connected topology: synthesis, crystal structure and magnetic properties
Authors of publication	Chen, ChuJun; Wang, Ning; Long, Yi; Gao, JinYing; Xie, WeiPing; Ran, XingRui; Yue, ShanTang
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	23
Pages of publication	4611
a	10.725 ± 0.004 Å
b	10.747 ± 0.004 Å
c	11.917 ± 0.004 Å
α	70.146 ± 0.004°
β	77.912 ± 0.005°
γ	60.967 ± 0.004°
Cell volume	1127.9 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0737
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1368
Weighted residual factors for all reflections included in the refinement	0.1488
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
180432 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/01.	7210178.cif
87051	2013-07-13	cif/ Adding structures of 7210176, 7210177, 7210178, 7210179, 7210180 via cif-deposit CGI script.	7210178.cif