Crystallography Open Database

Information card for entry 1548555

Preview

Coordinates	1548555.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H27 N5 O5 Zn
Calculated formula	C22 H27 N5 O5 Zn
Title of publication	Synthesis, Crystal Structure, and Luminescent Properties of New Zinc(II) and Cadmium(II) Metal-Organic Frameworks Based on Flexible Bis(imidazol-1-yl)alkane Ligands
Authors of publication	Marina Barsukova; Tatiana Goncharova; Denis Samsonenko; Danil Dybtsev; Andrei Potapov
Journal of publication	Crystals
Year of publication	2016
Journal volume	6
Pages of publication	132
a	10.73257 ± 0.00016 Å
b	23.2562 ± 0.0003 Å
c	9.76351 ± 0.00017 Å
α	90°
β	105.393 ± 0.0017°
γ	90°
Cell volume	2349.55 ± 0.06 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0409
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.1059
Weighted residual factors for all reflections included in the refinement	0.1082
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation probe	x-ray
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
204579 (current)	2017-12-29	cif/ Adding structures of 1548555 via cif-deposit CGI script.	1548555.cif