Crystallography Open Database

Information card for entry 2227042

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Structure parameters

Chemical name	Bis(μ-naphthalene-1,8-dicarboxylato- κ^2^<i>O</i>^1^:<i>O</i>^8^)bis[aquabis(<i>N</i>,<i>N</i>'- dimethylformamide-κ<i>O</i>)copper(II)]
Formula	C36 H44 Cu2 N4 O14
Calculated formula	C36 H44 Cu2 N4 O14
SMILES	C1(=O)c2c3c(cccc3ccc2)C(=O)O[Cu]([O]=CN(C)C)([O]=CN(C)C)([OH2])OC(=O)c2cccc3c2c(ccc3)C(=O)O[Cu](O1)([O]=CN(C)C)([O]=CN(C)C)[OH2]
Title of publication	Bis(μ-naphthalene-1,8-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^8^)bis[aquabis(<i>N</i>,<i>N</i>'-dimethylformamide-κ<i>O</i>)copper(II)]
Authors of publication	Fu, Jun-Dan; Zhang, Chun-Yan; Shi, Qing-Yu; Wen, Yi-Hang
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	8
Pages of publication	m1003 - m1004
a	17.7078 ± 0.0004 Å
b	9.9025 ± 0.0001 Å
c	23.0393 ± 0.0005 Å
α	90°
β	102.249 ± 0.002°
γ	90°
Cell volume	3948 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0734
Weighted residual factors for all reflections included in the refinement	0.076
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
181191 (current)	2016-04-03	hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/70.	2227042.cif 2227042.hkl
176789	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22.	2227042.cif 2227042.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2227042.cif 2227042.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.	2227042.cif 2227042.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2227042.cif 2227042.hkl
1704	2010-11-03	hkl/2/ Adding Fobs files for the recently deposited IUCr data.	2227042.cif 2227042.hkl
1553	2010-10-08	cif/2/ Adding data from Acta-Cryst-E-2010_08/.	2227042.cif