Crystallography Open Database

Information card for entry 7052134

Preview

Coordinates	7052134.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H63 Cu2 N10 O16.5
Calculated formula	C40 H60 Cu2 N10 O16.5
Title of publication	Linear recognition of dicarboxylates by ditopic macrocyclic complexes
Authors of publication	Boiocchi, Massimo; Bonizzoni, Marco; Moletti, Alberto; Pasini, Dario; Taglietti, Angelo
Journal of publication	New Journal of Chemistry
Year of publication	2007
Journal volume	31
Journal issue	3
Pages of publication	352
a	25.43 ± 0.004 Å
b	11.8649 ± 0.0017 Å
c	16.688 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5035.2 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	26
Hermann-Mauguin space group symbol	P m c 21
Hall space group symbol	P 2c -2
Residual factor for all reflections	0.0976
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1447
Weighted residual factors for all reflections included in the refinement	0.1708
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7052134.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052134.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052134.cif
1188	2010-06-06	cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories.	7052134.cif