Crystallography Open Database

Information card for entry 7206634

7206633 << 7206634 >> 7206635

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Coordinates	7206634.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H21 Ag2 Br2 N6 S3
Calculated formula	C21 H21 Ag2 Br2 N6 S3
Title of publication	Three novel cation-templated metal thiocyanates with 1-2D polypseudorotaxane frameworks
Authors of publication	Qiao, Yong-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	22
Pages of publication	6885
a	9.7369 ± 0.0012 Å
b	9.0907 ± 0.0011 Å
c	31.145 ± 0.004 Å
α	90°
β	91.659 ± 0.001°
γ	90°
Cell volume	2755.7 ± 0.6 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0441
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0652
Weighted residual factors for all reflections included in the refinement	0.0698
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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