Crystallography Open Database

Information card for entry 4110682

Preview

Coordinates	4110682.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H6 N4 O2
Calculated formula	C2 H6 N4 O2
Title of publication	Abundant Polymorphism in a System with Multiple Hydrogen-Bonding Opportunities: Oxalyl Dihydrazide
Authors of publication	Shinbyoung Ahn; Fang Guo; Benson M. Kariuki; Kenneth D. M. Harris
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	8441 - 8452
a	3.762 ± 0.004 Å
b	11.652 ± 0.005 Å
c	5.619 ± 0.002 Å
α	90°
β	92.793 ± 0.005°
γ	90°
Cell volume	246 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1055
Residual factor for significantly intense reflections	0.089
Weighted residual factors for significantly intense reflections	0.2046
Weighted residual factors for all reflections included in the refinement	0.2256
Goodness-of-fit parameter for all reflections included in the refinement	1.245
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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