Crystallography Open Database

Information card for entry 4512618

Preview

Coordinates	4512618.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 N18 O10 Zn5
Calculated formula	C26 H20 N18 O10 Zn5
Title of publication	Flexible Porous Zinc‒Pyrazole‒Adenine Framework for Hysteretic Sorption of Light Hydrocarbons
Authors of publication	Fu, Hong-Ru; Zhang, Jian
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	3
Pages of publication	1210
a	20.1049 ± 0.0018 Å
b	12.7575 ± 0.0015 Å
c	14.427 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	3700.4 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0615
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1401
Weighted residual factors for all reflections included in the refinement	0.1471
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
179674 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/26.	4512618.cif
134754	2015-04-04	cif/ Updating files of 4512618 Original log message: Adding full bibliography for 4512618.cif.	4512618.cif
130361	2015-02-04	cif/ Adding structures of 4512618 via cif-deposit CGI script.	4512618.cif