Crystallography Open Database

Information card for entry 7205833

7205832 << 7205833 >> 7205834

Preview

Coordinates	7205833.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H28 N8 O4
Calculated formula	C12 H28 N8 O4
SMILES	C1COCC[NH2+]CCOCCOCC[NH2+]CCO1.N#N=[N-].N#N=[N-]
Title of publication	The azide anion as a building block in crystal engineering from a charge density point of view
Authors of publication	Bushmarinov, Ivan S.; Nabiev, Orudzh G.; Kostyanovsky, Remir G.; Antipin, Mikhail Yu.; Lyssenko, Konstantin A.
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	8
Pages of publication	2930
a	7.6036 ± 0.0001 Å
b	8.548 ± 0.0001 Å
c	13.8275 ± 0.0002 Å
α	90°
β	90.3164 ± 0.0007°
γ	90°
Cell volume	898.71 ± 0.02 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.074
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.1021
Weighted residual factors for all reflections included in the refinement	0.1222
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
180389 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/58.	7205833.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205833.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205833.cif
21025	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7205833 via cif-deposit CGI script.	7205833.cif