Crystallography Open Database

Information card for entry 8104925

Preview

Coordinates	8104925.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	6-diazo-3,5-dichloro-2,4-dinitrocyclohexadiene-1-one
Formula	C6 Cl2 N4 O5
Calculated formula	C6 Cl2 N4 O5
Title of publication	The crystal structure of 3,5-dichloro-6-diazo-2,4-dinitrocyclohexa-2,4-dien-1-one, C6Cl2N4O5
Authors of publication	Wang, Haifang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	1
Pages of publication	213 - 214
a	6.0044 ± 0.0006 Å
b	8.966 ± 0.0011 Å
c	18.0544 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	971.97 ± 0.18 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0911
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0987
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/8104925.html