Crystallography Open Database

Information card for entry 2219285

2219284 << 2219285 >> 2219286

Preview

Coordinates	2219285.cif
Original IUCr paper	HTML

Structure parameters

Common name	<i>cis</i>-Bis(butylamine-κN)bis[sulfadiazine(1-)-κ^2^N,N']copper(II) pentahydrate
Chemical name	<i>cis</i>-bis[4-amino-N-(pyrimidin-2- yl)benzenesulfonamidato-κ^2^N,N']bis(butylamine-κN)copper(II) pentahydrate}
Formula	C28 H50 Cu N10 O9 S2
Calculated formula	C28 H50 Cu N10 O9 S2
Title of publication	<i>cis</i>-Bis(butylamine-κ<i>N</i>)bis[sulfadiazine(1{-})-κ^2^<i>N</i>,<i>N</i>']copper(II) pentahydrate
Authors of publication	Paşaoğlu, Hümeyra; Kaştaş, Gökhan; Heren, Zerrin; Büyükgüngör, Orhan
Journal of publication	Acta Crystallographica Section E
Year of publication	2008
Journal volume	64
Journal issue	9
Pages of publication	m1192
a	22.623 ± 0.006 Å
b	10.342 ± 0.005 Å
c	16.25 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	3802 ± 3 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.099
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1266
Weighted residual factors for all reflections included in the refinement	0.1409
Goodness-of-fit parameter for all reflections included in the refinement	0.902
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
199607 (current)	2017-08-07	cif/2/ (antanas@kurmis) Marking attached hydrogen atoms in entries 2000262, 2000356, 2000357, 2000422, 2000780, 2001195, 2001296, 2003279, 2003960, 2004397, 2004457, 2004783, 2005019, 2005056, 2005368, 2005523, 2005899, 2006204, 2006548, 2007160, 2007319, 2007581, 2008361, 2008783, 2008795, 2008879, 2009155, 2009735, 2009825, 2010692, 2012493, 2012591, 2014003, 2014794, 2015478, 2016436, 2018087, 2020331, 2101730, 2102513, 2103420, 2104617, 2106950, 2201866, 2202250, 2202537, 2202783, 2205815, 2206800, 2207708, 2207764, 2210299, 2211561, 2212883, 2219285, 2220089, 2220776, 2227765, 2231323, 2232683, 2234124, 2241833, 2310504.	2219285.cif
176787	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/21.	2219285.cif
91933	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs.	2219285.cif
32112	2012-02-03	cif/: committing an update of 45+ thous files, with information appended from the originals.	2219285.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2219285.cif
26029	2011-09-17	cif/2/ Reverting changes of revision 25271: ( cd cif/2/; svn merge -r25271:25270 . ) The problem was that the reprocessed files from IUCr, although were more complete, "resurrected" data errors that were corrected in the previous recisions. The additional data that have been extracted during the reprocessing will have to be merged without overwriting the existing values in COD files, except some explicit and controlled cases (such as publication titles and chemical names).	2219285.cif
25271	2011-09-10	cif/2/ Adding reporocessed IUCr CIFs for the years 1980-2010. The CIFs now contain more complete bibliography, substance names, correctly unfolded text fields (using the CIF line unfolding protocol), explicitely set cell angles, and _cod_data_source_block fields.	2219285.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	2219285.cif
903	2009-11-23	cif/ Setting svn:keywords property on those CIFs that did not have them.	2219285.cif
605	2009-03-27	Adding CIFs from the Acta-Cryst-E-2008_09-12/ deposition.	2219285.cif