Crystallography Open Database

Information card for entry 4101768

Preview

Coordinates	4101768.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H160 K4 N12 Ni2 O24 Sn17
Calculated formula	C76 H159.98 K4 N12 Ni2 O24 Sn17
Title of publication	Synthesis, structure, and dynamic properties of [Ni2Sn17]4-.
Authors of publication	Esenturk, Emren N; Fettinger, James C; Eichhorn, Bryan W
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Journal issue	1
Pages of publication	12 - 13
a	28.793 ± 0.0014 Å
b	16.7444 ± 0.0008 Å
c	29.2296 ± 0.0014 Å
α	90°
β	116.024 ± 0.001°
γ	90°
Cell volume	12663.4 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0271
Residual factor for significantly intense reflections	0.0223
Weighted residual factors for significantly intense reflections	0.0543
Weighted residual factors for all reflections included in the refinement	0.0563
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178763 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/17.	4101768.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4101768.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101768.cif
22697	2011-07-08	../uploads/cif-deposit/cod/cif Adding structures of 4101768 via cif-deposit CGI script.	4101768.cif