Crystallography Open Database

Information card for entry 7206269

7206268 << 7206269 >> 7206270

Preview

Coordinates	7206269.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H92 Mn4 N8 O26 S4
Calculated formula	C107.96 H92 Mn4 N8 O26 S4
Title of publication	A series of novel entangled coordination frameworks with inherent features of self-threading, polyrotaxane and polycatenane
Authors of publication	Chen, Haiyan; Xiao, Dongrong; He, Jianghong; Li, Zhifu; Zhang, Guangju; Sun, Dianzhen; Yuan, Ruo; Wang, Enbo; Luo, Qun-Li
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	15
Pages of publication	4988
a	24.492 ± 0.005 Å
b	16.886 ± 0.003 Å
c	25.983 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	10746 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1268
Residual factor for significantly intense reflections	0.0649
Weighted residual factors for significantly intense reflections	0.1582
Weighted residual factors for all reflections included in the refinement	0.1983
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
180393 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/62.	7206269.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206269.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206269.cif
23587	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7206269, 7206270, 7206271, 7206272, 7206273, 7206274 via cif-deposit CGI script.	7206269.cif