Crystallography Open Database

Information card for entry 7048369

Preview

Coordinates	7048369.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H38 Cu N8 O14
Calculated formula	C46 H30 Cu N8 O14
Title of publication	Two-fold 2D + 2D →2D interweaved rhombus (4,4) grid: synthesis, structure, and dye removal properties in darkness and in daylight.
Authors of publication	Tsai, Meng-Jung; Luo, Jheng-Hua; Wu, Jing-Yun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	3
Pages of publication	1095 - 1107
a	15.8566 ± 0.0006 Å
b	7.8896 ± 0.0003 Å
c	17.8929 ± 0.0007 Å
α	90°
β	106.539 ± 0.001°
γ	90°
Cell volume	2145.83 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.066
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.149
Weighted residual factors for all reflections included in the refinement	0.1586
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
224585 (current)	2019-11-08	cif/ Updating files of 7048369 Original log message: Adding full bibliography for 7048369.cif.	7048369.cif
212603	2018-12-15	cif/ Adding structures of 7048369 via cif-deposit CGI script.	7048369.cif