Crystallography Open Database

Information card for entry 7200416

7200415 << 7200416 >> 7200417

Preview

Coordinates	7200416.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H4 Cu N7
Calculated formula	C3 H4 Cu N7
Title of publication	Methyl groups control coordination number, stoichiometry, network and magnetism in a Cu(ii)-azide-pyrazine (6,3) 2D net
Authors of publication	Massoud, Alshima'a A.; Abu-Youssef, Morsy A. M.; Vejpravová, Jana Poltierová; Langer, Vratislav; Öhrström, Lars
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	2
Pages of publication	223 - 225
a	5.8645 ± 0.0004 Å
b	7.5587 ± 0.0005 Å
c	8.1625 ± 0.0006 Å
α	77.744 ± 0.002°
β	76.991 ± 0.001°
γ	83.633 ± 0.001°
Cell volume	343.75 ± 0.04 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0618
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.0733
Weighted residual factors for all reflections included in the refinement	0.0804
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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/7200416.html