Crystallography Open Database

Information card for entry 1545056

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Structure parameters

Chemical name	<i>catena</i>-Poly[[μ~2~-4,4'-bis(pyridin-3-ylethynyl)-1,1'-biphenyl-κ^2^<i>N</i>:<i>N</i>']bis(μ~2~-thiocyanato-κ^2^<i>N</i>:<i>S</i>)bis(thiocyanato-κ<i>S</i>)dimercury(II)]
Formula	C30 H16 Hg2 N6 S4
Calculated formula	C30 H16 Hg2 N6 S4
Title of publication	<i>catena</i>-Poly[[μ~2~-4,4'-bis(pyridin-3-ylethynyl)-1,1'-biphenyl-κ^2^<i>N</i>:<i>N</i>']bis(μ~2~-thiocyanato-κ^2^<i>N</i>:<i>S</i>)bis(thiocyanato-κ<i>S</i>)dimercury(II)]
Authors of publication	Tan, Shuzhi; Liu, Leili; Du, Yongli
Journal of publication	IUCrData
Year of publication	2017
Journal volume	2
Journal issue	1
Pages of publication	x170059
a	6.9175 ± 0.0005 Å
b	17.6267 ± 0.0013 Å
c	12.0029 ± 0.0009 Å
α	90°
β	91.017 ± 0.001°
γ	90°
Cell volume	1463.32 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0354
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0592
Weighted residual factors for all reflections included in the refinement	0.0615
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
190610 (current)	2017-01-18	cif/ hkl/ Adding structures of 1545056 via cif-deposit CGI script.	1545056.cif 1545056.hkl