Crystallography Open Database

Information card for entry 7206288

7206287 << 7206288 >> 7206289

Preview

Coordinates	7206288.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C174 H158 N24 O37 Zn6
Calculated formula	C174 H140 N24 O37 Zn6
Title of publication	A novel 3-connected [3 + 3] topological net showing both rotaxane- and catenane-like motifs
Authors of publication	Li, Shun-Li; Tan, Ke; Lan, Ya-Qian; Qin, Jun-Sheng; Li, Mei-Na; Du, Dong-Ying; Su, Zhong-Min
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	15
Pages of publication	4945
a	11.385 ± 0.005 Å
b	11.484 ± 0.005 Å
c	32.225 ± 0.005 Å
α	95.42 ± 0.005°
β	98.059 ± 0.005°
γ	96.035 ± 0.005°
Cell volume	4123 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0989
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1311
Weighted residual factors for all reflections included in the refinement	0.1555
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7206288.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206288.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206288.cif
23590	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7206288 via cif-deposit CGI script.	7206288.cif