Crystallography Open Database

Information card for entry 4305622

Preview

Coordinates	4305622.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H32 Cl3 Cu2 Gd N6 O8
Calculated formula	C30 H32 Cl3 Cu2 Gd N6 O8
SMILES	c1ccc(C=[N]2CC[N]3=Cc4cccc5[O](C)[Gd]6789(O[Cu]23([O]6c45)[Cl][Cu]23([O]7c4c([O]9C)cccc4C=[N]3CC[N]2=Cc2ccc[nH]2)O8)([OH2])[OH2])[nH]1.[Cl-].[Cl-]
Title of publication	Di- and Triheteronuclear Cu-Gd and Cu-Gd-Cu Complexes with Dissymmetric Double Bridge
Authors of publication	Fatima Zohra Chiboub Fellah; Jean-Pierre Costes; Françoise Dahan; Carine Duhayon; Ghenadie Novitchi; Jean-Pierre Tuchagues; Laure Vendier
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	6444 - 6451
a	14.76 ± 0.003 Å
b	15.749 ± 0.003 Å
c	8.2992 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	1929.2 ± 0.7 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	7
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.117
Residual factor for significantly intense reflections	0.0819
Weighted residual factors for significantly intense reflections	0.1663
Weighted residual factors for all reflections included in the refinement	0.1809
Goodness-of-fit parameter for all reflections included in the refinement	0.872
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
179094 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/56.	4305622.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305622.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305622.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305622.cif