Crystallography Open Database

Information card for entry 2300361

Preview

Coordinates	2300361.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H24 N8 Ni O6
Calculated formula	C6 H24 N8 Ni O6
SMILES	C1[NH2][Ni]23([NH2]CC[NH2]3)([NH2]CC[NH2]2)[NH2]C1.N(=O)(=O)[O-].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	8.8647 ± 0.0003 Å
b	8.8647 ± 0.0003 Å
c	11.3595 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	773.07 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	182
Hermann-Mauguin space group symbol	P 63 2 2
Hall space group symbol	P 6c 2c
Residual factor for all reflections	0.0627
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.054
Weighted residual factors for all reflections included in the refinement	0.0566
Goodness-of-fit parameter for all reflections included in the refinement	2.262
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
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.	2300361.cif
120072	2014-07-11	Adding DOIs to range 2 structures.	2300361.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.	2300361.cif