Crystallography Open Database

Information card for entry 2204951

2204950 << 2204951 >> 2204952

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Structure parameters

Chemical name	tris(ethylenediamine-κ^2^N,N')cobalt(III) chloride diiodide monohydrate
Formula	C6 H26 Cl Co I2 N6 O
Calculated formula	C6 H26 Cl Co I2 N6 O
SMILES	[I-].[I-].O.C1C[NH2][Co]23([NH2]1)([NH2]CC[NH2]3)[NH2]CC[NH2]2.[Cl-]
Title of publication	A new cobalt(III) ethylenediamine complex with mixed halide counter-anions, [Co(en)~3~](Cl)(I)~2~·H~2~O
Authors of publication	Zhang, Zhang-Jing; Zheng, Fa-Kun; Fu, Ming-Lai; Guo, Guo-Cong; Huang, Jin-Shun
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	1
Pages of publication	m89 - m91
a	11.2374 ± 0.0008 Å
b	11.2374 ± 0.0008 Å
c	24.648 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	2695.5 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	182
Hermann-Mauguin space group symbol	P 63 2 2
Hall space group symbol	P 6c 2c
Residual factor for all reflections	0.0906
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0968
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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