Crystallography Open Database

Information card for entry 1557752

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Structure parameters

Chemical name	Poly[[μ~4~-3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine]di-μ-iodido-dicopper(I)]
Formula	C12 H16 Cu2 I2 N2 S4
Calculated formula	C12 H16 Cu2 I2 N2 S4
Title of publication	Poly[[μ~4~-3,4,8,10,11,13-hexahydro-1<i>H</i>,6<i>H</i>-bis([1,4]dithiocino)[6,7-<i>b</i>:6',7'-<i>e</i>]pyrazine]di-μ-iodido-dicopper(I)]: a two-dimensional copper(I) coordination polymer
Authors of publication	Assoumatine, Tokouré; Stoeckli-Evans, Helen
Journal of publication	IUCrData
Year of publication	2020
Journal volume	5
Journal issue	4
Pages of publication	x200467
a	8.7612 ± 0.0008 Å
b	13.1852 ± 0.0013 Å
c	16.4458 ± 0.0019 Å
α	90°
β	94.4 ± 0.009°
γ	90°
Cell volume	1894.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0783
Weighted residual factors for all reflections included in the refinement	0.0837
Goodness-of-fit parameter for all reflections included in the refinement	1.161
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
250495 (current)	2020-04-08	cif/ hkl/ Adding structures of 1557752 via cif-deposit CGI script.	1557752.cif 1557752.hkl