Crystallography Open Database

Information card for entry 7226525

Preview

Coordinates	7226525.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[BCP][CuI2CuIII5]?2H2O
Chemical name	compound 2
Formula	C13 H15 Cu3 I5 N2 O2
Calculated formula	C13 H11 Cu3 I5 N2 O2
Title of publication	Spontaneous Chiral Resolution and Hierarchical Directing Effects of Two-winged Propeller-like SDAs on the Construction of Noncentrosymmetric Iodoargentates/Iodocuprates
Authors of publication	Hao, Pengfei; Qiao, Yanrong; yu, tanlai; shen, junju; Dai, Dongting; fu, yunlong
Journal of publication	RSC Adv.
Year of publication	2016
a	8.7403 ± 0.0003 Å
b	10.9631 ± 0.0004 Å
c	13.0161 ± 0.0005 Å
α	90°
β	106.319 ± 0.004°
γ	90°
Cell volume	1196.97 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.038
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0622
Weighted residual factors for all reflections included in the refinement	0.0651
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
186508 (current)	2016-09-10	cif/ Adding structures of 7226524, 7226525, 7226526, 7226527 via cif-deposit CGI script.	7226525.cif