Crystallography Open Database

Information card for entry 7206273

7206272 << 7206273 >> 7206274

Preview

Coordinates	7206273.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H46 N8 Ni2 O11
Calculated formula	C50 H44 N8 Ni2 O11
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	9.1045 ± 0.0003 Å
b	19.8708 ± 0.0006 Å
c	26.5094 ± 0.0008 Å
α	90°
β	97.067 ± 0.002°
γ	90°
Cell volume	4759.5 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0609
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1302
Weighted residual factors for all reflections included in the refinement	0.1386
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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.	7206273.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206273.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206273.cif
23587	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7206269, 7206270, 7206271, 7206272, 7206273, 7206274 via cif-deposit CGI script.	7206273.cif