Crystallography Open Database

Information card for entry 7219498

7219497 << 7219498 >> 7219499

Preview

Coordinates	7219498.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H48 Cl4 N6 O7 Zn2
Calculated formula	C46 H32 Cl4 N6 O7 Zn2
Title of publication	A photoactive porous metal‒organic complex: synthesis, crystal morphology and the influence of photocycloaddition on fluorescence properties and adsorption behavior
Authors of publication	Cai, Li-Xuan; Chen, Cheng; Tan, Bin; Zhang, Ya-Jun; Yang, Xiao-Dong; Zhang, Jie
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	11
Pages of publication	2353
a	11.7715 ± 0.0005 Å
b	13.0448 ± 0.0007 Å
c	16.0517 ± 0.0006 Å
α	90°
β	101.761 ± 0.004°
γ	90°
Cell volume	2413.1 ± 0.19 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0658
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1688
Weighted residual factors for all reflections included in the refinement	0.1801
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180525 (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 7/21/94.	7219498.cif
133221	2015-03-06	cif/ Updating files of 7219498 Original log message: Adding full bibliography for 7219498.cif.	7219498.cif
131215	2015-02-06	cif/ Adding structures of 7219498 via cif-deposit CGI script.	7219498.cif