Crystallography Open Database

Information card for entry 4309834

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Coordinates	4309834.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H7 Cu N11
Calculated formula	C2 H7 Cu N11
Title of publication	BTA Copper Complexes
Authors of publication	Manfred Friedrich; Juan Carlos Gálvez-Ruiz; Thomas M. Klapötke; Peter Mayer; Birgit Weber; Jan J. Weigand
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	8044 - 8052
a	6.3778 ± 0.0005 Å
b	9.1886 ± 0.0007 Å
c	14.2064 ± 0.0009 Å
α	90°
β	93.633 ± 0.008°
γ	90°
Cell volume	830.87 ± 0.11 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0356
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0539
Weighted residual factors for all reflections included in the refinement	0.0561
Goodness-of-fit parameter for all reflections included in the refinement	0.952
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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