Crystallography Open Database

Information card for entry 2200513

2200512 << 2200513 >> 2200514

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Structure parameters

Formula	C12 H8 Cu N4 O4
Calculated formula	C12 H8 Cu N4 O4
SMILES	c1ccc2ccc3ccc[n]4[Cu]56([n]1c2c34)(ON=[O]5)ON=[O]6
Title of publication	Second crystal form of dinitrito(1,10-phenanthroline)copper(II)
Authors of publication	Breneman, Gary L.; Howald, Carl W.; Parker, O. Jerry
Journal of publication	Acta Crystallographica Section E
Year of publication	2001
Journal volume	57
Journal issue	7
Pages of publication	m286 - m287
a	9.773 ± 0.001 Å
b	17.404 ± 0.002 Å
c	7.44 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1265.5 ± 0.3 Å³
Cell temperature	295 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for all reflections included in the refinement	0.109
Goodness-of-fit parameter for all reflections included in the refinement	1.154
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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