Crystallography Open Database

Information card for entry 7232419

Preview

Coordinates	7232419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 Cl2 Cu N4 O2
Calculated formula	C12 H12 Cl2 Cu N4 O2
Title of publication	Halide-bi-bridged polymers of amide substituted pyridines and -pyrazines: polymorphism, structures, thermal stability and magnetism
Authors of publication	Hearne, Neil; Turnbull, Mark M.; Landee, Christopher P.; van der Merwe, Elizabet M.; Rademeyer, Melanie
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	12
Pages of publication	1910
a	24.171 ± 0.004 Å
b	3.7103 ± 0.0005 Å
c	32.824 ± 0.005 Å
α	90°
β	111.493 ± 0.005°
γ	90°
Cell volume	2739 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0742
Residual factor for significantly intense reflections	0.0652
Weighted residual factors for significantly intense reflections	0.1799
Weighted residual factors for all reflections included in the refinement	0.1843
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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