Crystallography Open Database

Information card for entry 7225459

Preview

Coordinates	7225459.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H46 Cu2 Gd2 I2 N6 O17
Calculated formula	C48 H44 Cu2 Gd2 I2 N6 O17
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	21.998 ± 0.002 Å
b	9.2967 ± 0.0009 Å
c	29.381 ± 0.004 Å
α	90°
β	110.425 ± 0.001°
γ	90°
Cell volume	5630.9 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0639
Weighted residual factors for all reflections included in the refinement	0.0669
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
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.	7225459.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.	7225459.cif