Crystallography Open Database

Information card for entry 2230119

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Structure parameters

Chemical name	Bis{μ~3~-<i>cis</i>-<i>N</i>-(2-carboxylato-5-chlorophenyl)-<i>N</i>'- [3-(dimethylamino)propyl]oxamidato(3-)}bis(perchlorato- κ<i>O</i>)bis(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'- tetramethylethylenediamine)tetracopper(II)
Formula	C40 H62 Cl4 Cu4 N10 O16
Calculated formula	C40 H62 Cl4 Cu4 N10 O16
Title of publication	Bis{μ~3~-<i>cis</i>-<i>N</i>-(2-carboxylato-5-chlorophenyl)-<i>N</i>'-[3-(dimethylamino)propyl]oxamidato(3{-})}bis(perchlorato-κ<i>O</i>)bis(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine)tetracopper(II)
Authors of publication	Sun, Yanlong; Xu, Xuelian
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	5
Pages of publication	m645 - m646
a	12.575 ± 0.0013 Å
b	16.4137 ± 0.0019 Å
c	14.108 ± 0.0015 Å
α	90°
β	113.988 ± 0.002°
γ	90°
Cell volume	2660.4 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0734
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1095
Weighted residual factors for all reflections included in the refinement	0.1326
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181223 (current)	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/01.	2230119.cif 2230119.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2230119.cif 2230119.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2230119.cif 2230119.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.	2230119.cif 2230119.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2230119.cif 2230119.hkl
22560	2011-07-04	hkl/ Adding Fobs files for the recent IUCr data deposition.	2230119.cif 2230119.hkl
20189	2011-06-03	../uploads/cif-deposit/cod/cif Adding structures of 2230119 via cif-deposit CGI script.	2230119.cif