Crystallography Open Database

Information card for entry 2230344

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Structure parameters

Chemical name	Bis[4-amino-<i>N</i>-(pyrimidin-2- yl)benzenesulfonamidato]-κ^2^<i>N</i>,<i>N</i>';κ<i>N</i>- aquabis(dimethylformamide-κ<i>O</i>)cadmium(II) monohydrate
Formula	C26 H36 Cd N10 O8 S2
Calculated formula	C26 H36 Cd N10 O8 S2
SMILES	[Cd]12(N(S(=O)(=O)c3ccc(N)cc3)c3[n]1cccn3)(N(S(=O)(=O)c1ccc(N)cc1)c1[n]2cccn1)([O]=CN(C)C)([O]=CN(C)C)[OH2].O
Title of publication	Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamidato]-κ^2^<i>N</i>,<i>N</i>';κ<i>N</i>-aquabis(dimethylformamide-κ<i>O</i>)cadmium(II) monohydrate
Authors of publication	Hossain, G. M. Golzar
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	6
Pages of publication	m805 - m806
a	13.9012 ± 0.0003 Å
b	9.9763 ± 0.0002 Å
c	23.8147 ± 0.0005 Å
α	90°
β	103.203 ± 0.001°
γ	90°
Cell volume	3215.38 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.091
Weighted residual factors for all reflections included in the refinement	0.0988
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
181225 (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 2/23/03.	2230344.cif 2230344.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.	2230344.cif 2230344.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2230344.cif 2230344.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.	2230344.cif 2230344.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2230344.cif 2230344.hkl
22560	2011-07-04	hkl/ Adding Fobs files for the recent IUCr data deposition.	2230344.cif 2230344.hkl
22324	2011-07-04	../uploads/cif-deposit/cod/cif Adding structures of 2230344 via cif-deposit CGI script.	2230344.cif