Crystallography Open Database

Information card for entry 7212733

Preview

Coordinates	7212733.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 N2 O6 Zn
Calculated formula	C28 H22 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	9.6852 ± 0.0019 Å
b	10.65 ± 0.002 Å
c	12.977 ± 0.003 Å
α	112.61 ± 0.03°
β	90.52 ± 0.03°
γ	104.61 ± 0.03°
Cell volume	1187.3 ± 0.6 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0547
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0832
Weighted residual factors for all reflections included in the refinement	0.0894
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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.	7212733.cif
93262	2014-01-12	cif/ Adding structures of 7212733, 7212734, 7212735, 7212736 via cif-deposit CGI script.	7212733.cif