Crystallography Open Database

Information card for entry 7212734

Preview

Coordinates	7212734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H20 N2 O6 Zn
Calculated formula	C29 H20 N2 O6 Zn
Title of publication	How do substituent groups in the 5-position of 1,3-benzenedicarboxylate affect the construction of supramolecular frameworks?
Authors of publication	Liu, Dong; Li, Hong-Xi; Liu, Lei-Lei; Wang, He-Ming; Li, Ni-Ya; Ren, Zhi-Gang; Lang, Jian-Ping
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	11
Pages of publication	3708
a	15.026 ± 0.003 Å
b	14.484 ± 0.003 Å
c	12.991 ± 0.003 Å
α	90°
β	115.46 ± 0.03°
γ	90°
Cell volume	2552.7 ± 1.1 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
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	0.0665
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1073
Weighted residual factors for all reflections included in the refinement	0.1135
Goodness-of-fit parameter for all reflections included in the refinement	1.123
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
180458 (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 7/21/27.	7212734.cif
93262	2014-01-12	cif/ Adding structures of 7212733, 7212734, 7212735, 7212736 via cif-deposit CGI script.	7212734.cif