Crystallography Open Database

Information card for entry 1516902

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Coordinates	1516902.cif

Structure parameters

Formula	C22 H48 Cl2 N8 Ni2 O11
Calculated formula	C22 H48 Cl2 N8 Ni2 O11
Title of publication	Stabilization of 2D water sheets in a supramolecular metal-organic Schiff base complex: Reversible structural transformation upon dehydration-rehydration
Authors of publication	Rajat Saha; Susobhan Biswas; Ian M. Steele; Kamalendu Dey; Atish Dipankar Jana; Sanjay Kumar
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	399
Pages of publication	200 - 207
a	9.566 ± 0.002 Å
b	11.359 ± 0.003 Å
c	29.676 ± 0.007 Å
α	90°
β	91.219 ± 0.006°
γ	90°
Cell volume	3223.9 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.1019
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1162
Weighted residual factors for all reflections included in the refinement	0.1569
Goodness-of-fit parameter for all reflections included in the refinement	0.813
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516902.cif
119618	2014-07-08	cif/ Adding structures of 1516902 via cif-deposit CGI script.	1516902.cif