Crystallography Open Database

Information card for entry 4342335

Preview

Coordinates	4342335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H28 N2 Ni O13
Calculated formula	C28 H28 N2 Ni O13
Title of publication	A new design strategy to access zwitterionic metal-organic frameworks from anionic viologen derivates.
Authors of publication	Aulakh, Darpandeep; Varghese, Juby R.; Wriedt, Mario
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	4
Pages of publication	1756 - 1764
a	12.3743 ± 0.0007 Å
b	12.862 ± 0.0007 Å
c	18.4671 ± 0.001 Å
α	90°
β	98.5756 ± 0.0019°
γ	90°
Cell volume	2906.3 ± 0.3 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0482
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.1122
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
179526 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/23.	4342335.cif
132817	2015-03-04	cif/ Updating files of 4342334, 4342335 Original log message: Adding full bibliography for 4342334--4342335.cif.	4342335.cif
131155	2015-02-05	cif/ Adding structures of 4342335 via cif-deposit CGI script.	4342335.cif