Crystallography Open Database

Information card for entry 7212512

Preview

Coordinates	7212512.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H21 N5 O8 Zn
Calculated formula	C27 H15 N5 O8 Zn
Title of publication	2D self-catenated coordination polymer constructed by triple- and double-helical chains
Authors of publication	Sun, Jian-Ke; Yao, Qing-Xia; Ju, Zhan-Feng; Zhang, Jie
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	6
Pages of publication	1709
a	33.99 ± 0.02 Å
b	7.985 ± 0.004 Å
c	23.009 ± 0.014 Å
α	90°
β	123.764 ± 0.006°
γ	90°
Cell volume	5192 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0583
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1515
Weighted residual factors for all reflections included in the refinement	0.1568
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
180456 (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 7/21/25.	7212512.cif
93075	2014-01-12	cif/ Adding structures of 7212512 via cif-deposit CGI script.	7212512.cif