Crystallography Open Database

Information card for entry 4348258

Preview

Coordinates	4348258.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H14 Co N11 O7
Calculated formula	C H14 Co N11 O7
SMILES	c1(N(=O)=O)[n-]nnn1.[Co](N(=O)=O)(N(=O)=O)([NH3])([NH3])([NH3])[NH3].O
Title of publication	Explosive Werner-type cobalt(iii) complexes
Authors of publication	Deblitz, Raik; Hrib, Cristian G.; Blaurock, Steffen; Jones, Peter G.; Plenikowski, Georg; Edelmann, Frank T.
Journal of publication	Inorg. Chem. Front.
Year of publication	2014
Journal volume	1
Journal issue	8
Pages of publication	621
a	7.8926 ± 0.0011 Å
b	7.8926 ± 0.0011 Å
c	19.125 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1191.4 ± 0.3 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
Space group number	109
Hermann-Mauguin space group symbol	I 41 m d
Hall space group symbol	I 4bw -2
Residual factor for all reflections	0.0234
Residual factor for significantly intense reflections	0.0232
Weighted residual factors for significantly intense reflections	0.0565
Weighted residual factors for all reflections included in the refinement	0.0566
Goodness-of-fit parameter for all reflections included in the refinement	1.206
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
232849 (current)	2019-11-23	cif/ Adding structures of 4348254, 4348255, 4348256, 4348257, 4348258, 4348259, 4348260, 4348261, 4348262 via cif-deposit CGI script.	4348258.cif