Crystallography Open Database

Information card for entry 2108102

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Structure parameters

Chemical name	Tris(piperazine-1,4-diium) bis(hexaiodidoantimonate(III)) pentahydrate
Formula	C12 H46 I12 N6 O5 Sb2
Calculated formula	C12 H46 I12 N6 O5 Sb2
SMILES	I[Sb](I)(I)([I-])([I-])[I-].I[Sb](I)(I)([I-])([I-])[I-].O.O.O.O.O.[NH2+]1CC[NH2+]CC1.[NH2+]1CC[NH2+]CC1.[NH2+]1CC[NH2+]CC1
Title of publication	Formation and distortion of iodidoantimonates(III): the first isolated [SbI~6~]^3{-^} octahedron
Authors of publication	Bujak, Maciej
Journal of publication	Acta Crystallographica Section B
Year of publication	2017
Journal volume	73
Journal issue	3
Pages of publication	432 - 442
a	16.205 ± 0.0005 Å
b	8.7361 ± 0.0003 Å
c	16.4295 ± 0.0005 Å
α	90°
β	92.216 ± 0.003°
γ	90°
Cell volume	2324.16 ± 0.13 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0555
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0527
Weighted residual factors for all reflections included in the refinement	0.0557
Goodness-of-fit parameter for all reflections included in the refinement	0.848
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
199056 (current)	2017-07-25	cif/ hkl/ Adding structures of 2108102, 2108103, 2108104, 2108105, 2108106, 2108107 via cif-deposit CGI script.	2108102.cif 2108102.hkl