Crystallography Open Database

Information card for entry 4510450

Preview

Coordinates	4510450.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24.6 H23.4 N3.2 O6.2 Zn
Calculated formula	C21 H15 N2 O5 Zn
Title of publication	Selective CO2Capture in Metal‒Organic Frameworks with Azine-Functionalized Pores Generated by Mechanosynthesis
Authors of publication	Masoomi, Mohammad Yaser; Stylianou, Kyriakos C.; Morsali, Ali; Retailleau, Pascal; Maspoch, Daniel
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	5
Pages of publication	2092
a	26.808 ± 0.0014 Å
b	8.1923 ± 0.0005 Å
c	23.3025 ± 0.0016 Å
α	90°
β	98.956 ± 0.007°
γ	90°
Cell volume	5055.3 ± 0.5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
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	0.1091
Residual factor for significantly intense reflections	0.0916
Weighted residual factors for significantly intense reflections	0.2561
Weighted residual factors for all reflections included in the refinement	0.2877
Goodness-of-fit parameter for all reflections included in the refinement	1.151
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4510450.cif
115639	2014-06-05	cif/ Updating files of 4510450, 4510451 Original log message: Adding full bibliography for 4510450--4510451.cif.	4510450.cif
109956	2014-04-18	cif/ Adding structures of 4510450 via cif-deposit CGI script.	4510450.cif