Crystallography Open Database

Information card for entry 2012760

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Structure parameters

Common name	(-)-α-isosparteine copper(II) diazide
Chemical name	(Diazido-N)[(-)-α-isosparteine-N,N']copper(II)
Formula	C15 H26 Cu N8
Calculated formula	C15 H26 Cu N8
SMILES	[Cu]1([N]23CCCC[C@@H]2[C@@H]2C[N]41CCCC[C@@H]4[C@H](C3)C2)(N=N#N)N=N#N
Title of publication	(–)-α-Isosparteine copper(II) diazide
Authors of publication	Kim, Bun-Joo; Lee, Yong-Min; Kim, Eun Hee; Kang, Sung Kwon; Choi, Sung-Nak
Journal of publication	Acta Crystallographica Section C
Year of publication	2002
Journal volume	58
Journal issue	6
Pages of publication	m361 - m362
a	8.1517 ± 0.0016 Å
b	13.4955 ± 0.0012 Å
c	15.486 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1703.6 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.112
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.063
Weighted residual factors for all reflections included in the refinement	0.087
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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