Crystallography Open Database

Information card for entry 7212309

Preview

Coordinates	7212309.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C130 H93 N9 O25 Zn6
Calculated formula	C130 H93 N9 O25 Zn6
Title of publication	pH-dependent solvothermal formation of two different 3D multiple interpenetrating nets from the same components of Zn(NO3)2, 1,3-benzenedicarboxylate and 1,4-bis[2-(4-pyridyl)ethenyl]benzene
Authors of publication	Liu, Dong; Ren, Zhi-Gang; Li, Hong-Xi; Chen, Yang; Wang, Jing; Zhang, Yong; Lang, Jian-Ping
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	6
Pages of publication	1912
a	20.007 ± 0.003 Å
b	20.007 ± 0.003 Å
c	28.168 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	11275 ± 3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.1165
Residual factor for significantly intense reflections	0.0987
Weighted residual factors for significantly intense reflections	0.2316
Weighted residual factors for all reflections included in the refinement	0.2428
Goodness-of-fit parameter for all reflections included in the refinement	1.176
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
180454 (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 7/21/23.	7212309.cif
92816	2014-01-12	cif/ Adding structures of 7212309, 7212310 via cif-deposit CGI script.	7212309.cif