Crystallography Open Database

Information card for entry 4509748

Preview

Coordinates	4509748.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H35 Cu5 I5 N7 S7
Calculated formula	C35 H35 Cu5 I5 N7 S7
Title of publication	Solvothermal Stepwise Formation of Cu/I/S-Based Semiconductors from a Three-Dimensional Net to One-Dimensional Chains
Authors of publication	Chen, Yang; Wang, Zi-Ou; Ren, Zhi-Gang; Li, Hong-Xi; Li, Duan-Xiu; Liu, Dong; Zhang, Yong; Lang, Jian-Ping
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	11
Pages of publication	4963
a	10.005 ± 0.002 Å
b	19.344 ± 0.004 Å
c	25.704 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4974.7 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.0918
Weighted residual factors for all reflections included in the refinement	0.0952
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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