Crystallography Open Database

Information card for entry 7214712

Preview

Coordinates	7214712.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H115 N4 Na9 O56 P4
Calculated formula	C41 H115 N4 Na9 O56 P4
Title of publication	Sodium ion association via bridging water molecules for different charged p-phosphonated calix[4]arene bilayers
Authors of publication	Ling, Irene; Iyer, K. Swaminathan; Bond, Charles S.; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	24
Pages of publication	8541
a	16.1842 ± 0.0004 Å
b	16.1842 Å
c	31.2772 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	8192.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	130
Hermann-Mauguin space group symbol	P 4/n c c :2
Hall space group symbol	-P 4a 2ac
Residual factor for all reflections	0.1222
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.104
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
180478 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/47.	7214712.cif
110951	2014-04-20	cif/ Adding structures of 7214711, 7214712 via cif-deposit CGI script.	7214712.cif