Crystallography Open Database

Information card for entry 7235908

Preview

Coordinates	7235908.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H68 N2 O9 S2
Calculated formula	C59 H68 N2 O9 S2
Title of publication	Nature of reactant and influence of water on the supramolecular patterns and luminescent properties of organic salts comprising (1,1′-biphenyl)-4,4′-disulfonate and triphenylmethanaminium
Authors of publication	Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Xie, Xin-Yu; Zhu, Zhi-Biao; Gao, Shan
Journal of publication	RSC Advances
Year of publication	2015
Journal volume	5
Journal issue	52
Pages of publication	41692
a	15.4604 ± 0.0005 Å
b	19.5093 ± 0.0007 Å
c	18.6701 ± 0.0006 Å
α	90°
β	96.156 ± 0.003°
γ	90°
Cell volume	5598.8 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
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	0.1118
Residual factor for significantly intense reflections	0.0718
Weighted residual factors for significantly intense reflections	0.1816
Weighted residual factors for all reflections included in the refinement	0.2033
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
233750 (current)	2019-11-23	cif/ Adding structures of 7235905, 7235906, 7235907, 7235908, 7235909, 7235910, 7235911, 7235912, 7235913, 7235914, 7235915, 7235916, 7235917, 7235918 via cif-deposit CGI script.	7235908.cif