Crystallography Open Database

Information card for entry 7205631

7205630 << 7205631 >> 7205632

Preview

Coordinates	7205631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H111 Al N8 O56.95 S8
Calculated formula	C104 H111 Al N8 O56.948 S8
Title of publication	Supramolecular versatility in the solid-state complexes of para-sulphonatocalix[4]arene with phenanthroline
Authors of publication	Leśniewska, Barbara; Danylyuk, Oksana; Suwinska, Kinga; Wojciechowski, Tomasz; Coleman, Anthony W.
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	9
Pages of publication	3265
a	14.959 ± 0.0003 Å
b	17.5 ± 0.0005 Å
c	24.004 ± 0.0007 Å
α	71.799 ± 0.002°
β	85.778 ± 0.002°
γ	71.804 ± 0.001°
Cell volume	5668.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1247
Residual factor for significantly intense reflections	0.0798
Weighted residual factors for significantly intense reflections	0.1715
Weighted residual factors for all reflections included in the refinement	0.1909
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
180387 (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 7/20/56.	7205631.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205631.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205631.cif
20976	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7205628, 7205629, 7205630, 7205631 via cif-deposit CGI script.	7205631.cif