Crystallography Open Database

Information card for entry 7021192

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Coordinates	7021192.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H42 N5 O9 Zn
Calculated formula	C25 H42 N5 O9 Zn
Title of publication	Modulating methane storage in anionic nano-porous MOF materials via post-synthetic cation exchange process.
Authors of publication	Akhbari, Kamran; Morsali, Ali
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	14
Pages of publication	4786 - 4789
a	17.546 ± 0.003 Å
b	11.158 ± 0.002 Å
c	18.392 ± 0.003 Å
α	90°
β	118.33 ± 0.02°
γ	90°
Cell volume	3169.5 ± 1.1 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0798
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.1491
Weighted residual factors for all reflections included in the refinement	0.181
Goodness-of-fit parameter for all reflections included in the refinement	1.15
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
179916 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/11.	7021192.cif
86130	2013-05-09	cif/ Adding structures of 7021192 via cif-deposit CGI script.	7021192.cif