Crystallography Open Database

Information card for entry 7113178

Preview

Coordinates	7113178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H32 N2 O13 Zn2.5
Calculated formula	C44 H30 N2 O13 Zn2.5
Title of publication	An unprecedented (6,8)-connected self-penetrating network based on two distinct zinc clusters
Authors of publication	Lan, Ya-Qian; Wang, Xin-Long; Li, Shun-Li; Su, Zhong-Min; Shao, Kui-Zhan; Wang, En-Bo
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2007
Journal issue	46
Pages of publication	4863 - 4865
a	16.984 ± 0.0018 Å
b	16.342 ± 0.0019 Å
c	15.648 ± 0.002 Å
α	90°
β	103.23 ± 0.002°
γ	90°
Cell volume	4227.9 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1128
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for significantly intense reflections	0.1609
Weighted residual factors for all reflections included in the refinement	0.1852
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Duplicate of	7102302
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210771 (current)	2018-09-10	cif/7/ Updating bibliography in entries 7102302, 7113178. Marking entry 7113178 as a duplicate of entry 7102302.	7113178.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7113178.cif
113368	2014-05-12	cif/ Adding structures of 7113178 via cif-deposit CGI script.	7113178.cif