Crystallography Open Database

Information card for entry 7206254

7206253 << 7206254 >> 7206255

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Coordinates	7206254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C115 H116 Cu4 N32 O26
Calculated formula	C115 H100 Cu4 N32 O26
Title of publication	Structural tuning of meso-hexamer, chiral-trimer and chiral-chain by anion directed supramolecular interactions
Authors of publication	Liu, Yu; Li, Kang; Wei, Shi-Chao; Pan, Mei; Su, Cheng-Yong
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	14
Pages of publication	4564
a	20.4796 ± 0.0008 Å
b	12.5996 ± 0.0005 Å
c	23.1723 ± 0.0012 Å
α	90°
β	104.953 ± 0.005°
γ	90°
Cell volume	5776.8 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2455
Residual factor for significantly intense reflections	0.077
Weighted residual factors for significantly intense reflections	0.0947
Weighted residual factors for all reflections included in the refinement	0.1113
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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.	7206254.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206254.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206254.cif
23584	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7206249, 7206250, 7206251, 7206252, 7206253, 7206254 via cif-deposit CGI script.	7206254.cif