Crystallography Open Database

Information card for entry 2018480

2018479 << 2018480 >> 2018481

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Coordinates	2018480.cif
Structure factors	2018480.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[[(oxamide dioxime-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-<i>L</i>-tartrato- κ^4^<i>O</i>^1^,O^2^:<i>O</i>^3^,<i>O</i>^4^] tetrahydrate]
Formula	C6 H18 Cu N4 O12
Calculated formula	C6 H18 Cu N4 O12
SMILES	[Cu]123([N](O)=C(C(=[N]3O)N)N)(OC(=O)[C@H]([OH]1)[C@H]1[OH][Cu]4([N](O)=C(C(=[N]4O)N)N)OC1=O)OC(=O)[C@H]([OH]2)[C@H](C(=O)[O-])O.O.O.O.O.O.O.O.O
Title of publication	<i>catena</i>-Poly[[[(oxamide dioxime-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-<small>L</small>-tartrato-κ^4^<i>O</i>^1^,O^2^:<i>O</i>^3^,<i>O</i>^4^] tetrahydrate]: a chiral nanochannel framework hosting solvent water molecules
Authors of publication	Bélombé, Michel M.; Nenwa, Justin; Wankap Kouamo, Jean S. T.; Ponou, Siméon; Fischer, Andreas
Journal of publication	Acta Crystallographica Section C
Year of publication	2012
Journal volume	68
Journal issue	5
Pages of publication	m131 - m134
a	14.6316 ± 0.0009 Å
b	14.6316 ± 0.0009 Å
c	6.6239 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1418.07 ± 0.15 Å³
Cell temperature	299 K
Ambient diffraction temperature	299 K
Number of distinct elements	5
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0339
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0497
Weighted residual factors for all reflections included in the refinement	0.0525
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
180853 (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 2/01/84.	2018480.cif 2018480.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.	2018480.cif 2018480.hkl
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2018480.cif 2018480.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.	2018480.cif 2018480.hkl
66590	2012-09-11	hkl/ Adding assigned .htl files for the most recent IUCr data depositions.	2018480.cif 2018480.hkl
60298	2012-06-14	cif/ Adding structures of 2018480 via cif-deposit CGI script.	2018480.cif