Crystallography Open Database

Information card for entry 7218091

Preview

Coordinates	7218091.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H38 Ag Cl N4 O9
Calculated formula	C32 H38 Ag Cl N4 O9
Title of publication	Temperature-induced one-dimensional chiral Ag(i) linear chains and left-handed 21helices: DFT studies, luminescence and SHG response
Authors of publication	Cheng, Lin; Wang, Jun; Qi, Qi; Zhang, Xiuying; Yu, Haiyan; Gou, Shaohua; Fang, Lei
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	43
Pages of publication	10056
a	10.9131 ± 0.0016 Å
b	13.0435 ± 0.0019 Å
c	22.908 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3260.8 ± 0.9 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
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	0.0984
Residual factor for significantly intense reflections	0.0748
Weighted residual factors for significantly intense reflections	0.156
Weighted residual factors for all reflections included in the refinement	0.1693
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

Version history

Revision	Date	Message	Files
180511 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/80.	7218091.cif
126365	2014-11-06	cif/ Updating files of 7218088, 7218089, 7218090, 7218091 Original log message: Adding full bibliography for 7218088--7218091.cif.	7218091.cif
123715	2014-09-12	cif/ Adding structures of 7218088, 7218089, 7218090, 7218091 via cif-deposit CGI script.	7218091.cif