Crystallography Open Database

Information card for entry 7210619

Preview

Coordinates	7210619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H36 Cl4 N18 O16 Zn2
Calculated formula	C45 H36 Cl4 N18 O16 Zn2
Title of publication	Two cationic metal‒organic frameworks featuring different cage-to-cage connections: syntheses, crystal structures, photoluminescence and gas sorption properties
Authors of publication	Xue, Zhen-Zhen; Sheng, Tian-Lu; Zhu, Qi-Long; Yuan, Da-Qiang; Wang, Yan-Long; Tan, Chun-Hong; Hu, Sheng-Min; Wen, Yue-Hong; Wang, Yong; Fu, Rui-Biao; Wu, Xin-Tao
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	40
Pages of publication	8139
a	21.703 ± 0.003 Å
b	20.062 ± 0.003 Å
c	22.121 ± 0.003 Å
α	90°
β	108.799 ± 0.002°
γ	90°
Cell volume	9118 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0549
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1425
Weighted residual factors for all reflections included in the refinement	0.1481
Goodness-of-fit parameter for all reflections included in the refinement	0.976
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
180437 (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 7/21/06.	7210619.cif
88831	2013-10-09	cif/ Adding structures of 7210618, 7210619 via cif-deposit CGI script.	7210619.cif