Crystallography Open Database

Information card for entry 7011486

Preview

Coordinates	7011486.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H41 Cl3 Cu N6 O14
Calculated formula	C24 H37 Cl3 Cu N6 O14
Title of publication	A new dipyridine-containing cryptand for both proton and Cu(ii) encapsulation. A solution and solid state study
Authors of publication	Bazzicalupi, Carla; Bellusci, Anna; Bencini, Andrea; Berni, Emanuela; Bianchi, Antonio; Ciattini, Samuele; Giorgi, Claudia; Valtancoli, Barbara
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	10
Pages of publication	2151
a	29.5 ± 0.007 Å
b	17.825 ± 0.007 Å
c	13.781 ± 0.003 Å
α	90°
β	104.193 ± 0.01°
γ	90°
Cell volume	7025 ± 4 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0855
Residual factor for significantly intense reflections	0.0782
Weighted residual factors for significantly intense reflections	0.2193
Weighted residual factors for all reflections included in the refinement	0.2302
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
213973 (current)	2019-03-05	cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries.	7011486.cif
179818	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/14.	7011486.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011486.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011486.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011486.cif