Crystallography Open Database

Information card for entry 7057148

Preview

Coordinates	7057148.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H31 N5 O5 Zn
Calculated formula	C29 H24 N5 O5 Zn
Title of publication	Exploring the multifunctionality in metal‒organic framework materials: how do the stilbenedicarboxylate and imidazolyl ligands tune the characteristics of coordination polymers?
Authors of publication	Barsukova, Marina O.; Sapchenko, Sergey A.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Potapov, Andrei S.; Dybtsev, Danil N.; Fedin, Vladimir P.
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	8
Pages of publication	6408
a	11.5569 ± 0.0008 Å
b	6.851 ± 0.0005 Å
c	17.499 ± 0.0009 Å
α	90°
β	92.086 ± 0.007°
γ	90°
Cell volume	1384.59 ± 0.16 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0884
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for significantly intense reflections	0.1802
Weighted residual factors for all reflections included in the refinement	0.1969
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation probe	x-ray
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
230233 (current)	2019-11-17	cif/ Updating files of 7057145, 7057146, 7057147, 7057148, 7057149, 7057150 Original log message: Adding full bibliography for 7057145--7057150.cif.	7057148.cif
206883	2018-03-10	cif/ Adding structures of 7057145, 7057146, 7057147, 7057148, 7057149, 7057150 via cif-deposit CGI script.	7057148.cif