Crystallography Open Database

Information card for entry 2018661

2018660 << 2018661 >> 2018662

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Structure parameters

Chemical name	bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine- κ^2^<i>N</i>,<i>N</i>')bis(perchlorato-κ<i>O</i>)copper(II)
Formula	C8 H24 Cl2 Cu N4 O8
Calculated formula	C8 H24 Cl2 Cu N4 O8
SMILES	[Cu]12([NH](CC[NH]1C)C)[NH](CC[NH]2C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	The weakly coordinating perchlorate group in bis(<i>N</i>,<i>N</i>'-dimethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')bis(perchlorato-κ<i>O</i>)copper(II) studied at 100, 250 and 400K
Authors of publication	Schnitzler, Silvia; Şerb, Mihaela-Diana; Englert, Ulli
Journal of publication	Acta Crystallographica Section C
Year of publication	2012
Journal volume	68
Journal issue	9
Pages of publication	m251 - m254
a	8.5395 ± 0.0017 Å
b	13.543 ± 0.003 Å
c	14.743 ± 0.004 Å
α	90°
β	95.358 ± 0.003°
γ	90°
Cell volume	1697.6 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0443
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0717
Weighted residual factors for all reflections included in the refinement	0.0753
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
180855 (current)	2016-04-02	cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/86.	2018661.cif 2018661.hkl
176760	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2018661.cif 2018661.hkl
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2018661.cif 2018661.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2018661.cif 2018661.hkl
74188	2013-02-22	hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013.	2018661.cif 2018661.hkl
70212	2012-12-21	cif/ Adding structures of 2018661, 2018662, 2018663 via cif-deposit CGI script.	2018661.cif