Crystallography Open Database

Information card for entry 2300359

Preview

Coordinates	2300359.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H24 N8 Ni O6
Calculated formula	C6 H24 N8 Ni O6
SMILES	N(=O)(=O)[O-].[Ni]123([NH2]CC[NH2]2)([NH2]CC[NH2]1)[NH2]CC[NH2]3.N(=O)(=O)[O-]
Title of publication	Low-energy contamination of Mo microsource X-ray radiation: analysis and solution of the problem
Authors of publication	Macchi, Piero; Bürgi, Hans-Beat; Chimpri, Abita S.; Hauser, Jürg; Gál, Zoltán
Journal of publication	Journal of Applied Crystallography
Year of publication	2011
Journal volume	44
Journal issue	4
Pages of publication	763 - 771
a	8.806 ± 0.005 Å
b	8.806 ± 0.005 Å
c	33.147 ± 0.005 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	120 ± 0.005°
Cell volume	2226 ± 1.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	178
Hermann-Mauguin space group symbol	P 61 2 2
Hall space group symbol	P 61 2 (0 0 5)
Residual factor for all reflections	0.0301
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.1019
Weighted residual factors for all reflections included in the refinement	0.1045
Goodness-of-fit parameter for all reflections included in the refinement	0.897
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176809 (current)	2016-02-21	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2.	2300359.cif
120072	2014-07-11	Adding DOIs to range 2 structures.	2300359.cif
27046	2011-09-29	../uploads/cif-deposit/cod/cif Adding structures of 2300357, 2300358, 2300359, 2300360, 2300361, 2300362, 2300363, 2300364 via cif-deposit CGI script.	2300359.cif