Crystallography Open Database

Information card for entry 2237764

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Coordinates	2237764.cif
Structure factors	2237764.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-2,2'-iminodibenzoato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']
Formula	C26 H17 Cu N3 O4
Calculated formula	C26 H17 Cu N3 O4
SMILES	[Cu]12([n]3cccc4ccc5ccc[n]1c5c34)(OC(=O)c1ccccc1Nc1ccccc1C(=O)[O-])OC(=[O]2)c1c(Nc2c(C(=O)O[Cu]3[n]4cccc5ccc6ccc[n]3c6c45)cccc2)cccc1
Title of publication	<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-2,2'-iminodibenzoato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']
Authors of publication	Yuste-Vivas, Consuelo; Coutinho, Joana T.; Pereira, Laura C. J.; Silva, Manuela Ramos
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	5
Pages of publication	m255 - m256
a	31.7536 ± 0.0006 Å
b	9.8492 ± 0.0002 Å
c	14.4865 ± 0.0003 Å
α	90°
β	113.222 ± 0.001°
γ	90°
Cell volume	4163.57 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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 all reflections	0.0616
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0786
Weighted residual factors for all reflections included in the refinement	0.089
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
181299 (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 2/23/77.	2237764.cif 2237764.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.	2237764.cif 2237764.hkl
88055	2013-08-28	cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently.	2237764.cif 2237764.hkl
88054	2013-08-28	cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data.	2237764.cif 2237764.hkl
86428	2013-07-11	cif/ Adding structures of 2237764 via cif-deposit CGI script.	2237764.cif