Crystallography Open Database

Information card for entry 7105318

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Coordinates	7105318.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H4 N6 S4 Zn
Calculated formula	C4 H4 N6 S4 Zn
Title of publication	Spontaneous asymmetrical crystallization of a three-dimensional diamondoid framework material from achiral precursors.
Authors of publication	Chen, Shan-Ci; Zhang, Jian; Yu, Rong-Min; Wu, Xiao-Yuan; Xie, Yi-Ming; Wang, Fei; Lu, Can-Zhong
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	9
Pages of publication	1449 - 1451
a	8.2676 ± 0.0008 Å
b	11.1516 ± 0.0011 Å
c	11.23 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1035.37 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0379
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0619
Weighted residual factors for all reflections included in the refinement	0.0808
Goodness-of-fit parameter for all reflections included in the refinement	1.156
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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