Crystallography Open Database

Information card for entry 7112522

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Coordinates	7112522.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H25 N O9 Zn2
Calculated formula	C22 H25 N O9 Zn2
Title of publication	Enantioselective sorption of alcohols in a homochiral metal-organic framework.
Authors of publication	Suh, Kyungwon; Yutkin, Maxim P.; Dybtsev, Danil N.; Fedin, Vladimir P.; Kim, Kimoon
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2012
Journal volume	48
Journal issue	4
Pages of publication	513 - 515
a	10.334 ± 0.002 Å
b	11.672 ± 0.002 Å
c	20.341 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2453.5 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.048
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1324
Weighted residual factors for all reflections included in the refinement	0.1327
Goodness-of-fit parameter for all reflections included in the refinement	1.136
Diffraction radiation wavelength	0.8 Å
Diffraction radiation type	SynchrotronatPohangAcceleratorLaboratory
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180239 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/25.	7112522.cif
110798	2014-04-20	cif/ Adding structures of 7112522, 7112523 via cif-deposit CGI script.	7112522.cif