Crystallography Open Database

Information card for entry 7201277

7201276 << 7201277 >> 7201278

Preview

Coordinates	7201277.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H62 Cs2 O18
Calculated formula	C38 H62 Cs2 O18
SMILES	c1(ccccc1)C(=O)[O-].C1C[O]2CC[O]3CC[O]4CC[O]5CC[O]6CC[O]1[Cs]23456.O
Title of publication	Caesium 18-crown[6] complexes with aromatic polycarboxylate anions: preparation, solid-state characterization and thermal behaviour
Authors of publication	Braga, Dario; d'Agostino, Simone; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	9
Pages of publication	1994
a	11.0263 ± 0.0003 Å
b	21.5415 ± 0.0005 Å
c	10.2369 ± 0.0003 Å
α	90°
β	97.333 ± 0.002°
γ	90°
Cell volume	2411.61 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0845
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0366
Weighted residual factors for all reflections included in the refinement	0.0413
Goodness-of-fit parameter for all reflections included in the refinement	0.825
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180343 (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 7/20/12.	7201277.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7201277.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7201277.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7201277.cif