Crystallography Open Database

Information card for entry 2234280

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Coordinates	2234280.cif
Structure factors	2234280.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[[aquamanganese(III)]-μ-(<i>E</i>)-5-bromo- <i>N</i>-[2-(5-bromo-2-oxidobenzylideneamino)-4-nitrophenyl]- 2-oxidobenzamidato] <i>N</i>,<i>N</i>-dimethylfomamide monosolvate]
Formula	C23 H19 Br2 Mn N4 O7
Calculated formula	C23 H19 Br2 Mn N4 O7
SMILES	[Mn]123(Oc4ccc(Br)cc4C=[N]2c2cc(N(=O)=O)ccc2N3C(=O)c2cc(Br)ccc2O1)([OH2])[O]=C1c2cc(Br)ccc2O[Mn]23(N1c1c([N]3=Cc3c(O2)ccc(Br)c3)cc(N(=O)=O)cc1)[OH2].O=CN(C)C.O=CN(C)C
Title of publication	<i>catena</i>-Poly[[[aquamanganese(III)]-μ-(<i>E</i>)-5-bromo-<i>N</i>-[2-(5-bromo-2-oxidobenzylideneamino)-4-nitrophenyl]-2-oxidobenzamidato] <i>N</i>,<i>N</i>-dimethylfomamide monosolvate]
Authors of publication	Farag, Abeer Mohamed; Guan, Teoh Siang; Osman, Hasnah; Hemamalini, Madhukar; Fun, Hoong-Kun
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	4
Pages of publication	m365 - m366
a	11.0746 ± 0.0006 Å
b	24.9781 ± 0.0013 Å
c	9.5563 ± 0.0005 Å
α	90°
β	114.658 ± 0.001°
γ	90°
Cell volume	2402.4 ± 0.2 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0476
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0801
Weighted residual factors for all reflections included in the refinement	0.0853
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
181264 (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 2/23/42.	2234280.cif 2234280.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.	2234280.cif 2234280.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2234280.cif 2234280.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.	2234280.cif 2234280.hkl
66590	2012-09-11	hkl/ Adding assigned .htl files for the most recent IUCr data depositions.	2234280.cif 2234280.hkl
55547	2012-05-05	cif/ Adding structures of 2234280 via cif-deposit CGI script.	2234280.cif