Crystallography Open Database

Information card for entry 7212736

Preview

Coordinates	7212736.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H22 N2 O4 Zn
Calculated formula	C29 H22 N2 O4 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	29.578 ± 0.006 Å
b	9.6718 ± 0.0019 Å
c	18.389 ± 0.004 Å
α	90°
β	111.71 ± 0.03°
γ	90°
Cell volume	4887 ± 2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1339
Residual factor for significantly intense reflections	0.0866
Weighted residual factors for significantly intense reflections	0.2053
Weighted residual factors for all reflections included in the refinement	0.2396
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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.	7212736.cif
93262	2014-01-12	cif/ Adding structures of 7212733, 7212734, 7212735, 7212736 via cif-deposit CGI script.	7212736.cif