Crystallography Open Database

Information card for entry 7225469

Preview

Coordinates	7225469.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H16 Br2 Cu2 Gd N2 O8
Calculated formula	C17 H16 Br2 Cu2 Gd N2 O8
Title of publication	Copper(i)‒lanthanide(iii) heterometallic metal‒organic frameworks constructed from 3-(3-pyridyl)acrylic acid: syntheses, structures, and properties
Authors of publication	Dong, Ruo-Ting; Chen, Xin-Li; Cui, Xiao; Chen, Su-Su; Shen, Mo-Yuan; Li, Chu-Wen; Li, Qian-Hong; Hu, Ming-Yuan; Huang, Lan-Fen; Deng, Hong
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	29
Pages of publication	5547
a	7.439 ± 0.0017 Å
b	7.797 ± 0.002 Å
c	21.617 ± 0.005 Å
α	86.532 ± 0.004°
β	87.711 ± 0.004°
γ	65.178 ± 0.004°
Cell volume	1135.8 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1085
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for significantly intense reflections	0.1423
Weighted residual factors for all reflections included in the refinement	0.1738
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
185261 (current)	2016-08-07	cif/ Updating files of 7225454, 7225455, 7225456, 7225457, 7225458, 7225459, 7225460, 7225461, 7225462, 7225463, 7225464, 7225465, 7225466, 7225467, 7225468, 7225469, 7225470 Original log message: Adding full bibliography for 7225454--7225470.cif.	7225469.cif
183373	2016-06-11	cif/ Adding structures of 7225454, 7225455, 7225456, 7225457, 7225458, 7225459, 7225460, 7225461, 7225462, 7225463, 7225464, 7225465, 7225466, 7225467, 7225468, 7225469, 7225470 via cif-deposit CGI script.	7225469.cif