Crystallography Open Database

Information card for entry 2018662

2018661 << 2018662 >> 2018663

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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	8.5966 ± 0.0014 Å
b	13.655 ± 0.002 Å
c	14.966 ± 0.003 Å
α	90°
β	95.533 ± 0.004°
γ	90°
Cell volume	1748.6 ± 0.5 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 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	0.0662
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.0929
Weighted residual factors for all reflections included in the refinement	0.1025
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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
301798 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/01 Each referenced PubChem compound corresponds to the full crystal structure.	2018662.cif 2018662.hkl
180855	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.	2018662.cif 2018662.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.	2018662.cif 2018662.hkl
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2018662.cif 2018662.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.	2018662.cif 2018662.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.	2018662.cif 2018662.hkl
70212	2012-12-21	cif/ Adding structures of 2018661, 2018662, 2018663 via cif-deposit CGI script.	2018662.cif