Crystallography Open Database

Information card for entry 2236707

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Structure parameters

Chemical name	<i>trans</i>-Bis[4-amino-<i>N</i>-(pyrimidin-2-yl- κ<i>N</i>)benzenesulfonamidato-κ<i>N</i>]bis(<i>N</i>,<i>N</i>- dimethylformamide-κ<i>O</i>)cobalt(II)
Formula	C26 H32 Co N10 O6 S2
Calculated formula	C26 H32 Co N10 O6 S2
Title of publication	<i>trans</i>-Bis[4-amino-<i>N</i>-(pyrimidin-2-yl-κ<i>N</i>)benzenesulfonamidato-κ<i>N</i>]bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)cobalt(II)
Authors of publication	Guo, Jing Jing; Wang, Wei; Zhang, Yi Dong; Yang, Li; Zhang, Shu Hua
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	11
Pages of publication	m1398 - m1399
a	8.9008 ± 0.0006 Å
b	11.2078 ± 0.0006 Å
c	16.5565 ± 0.0009 Å
α	90°
β	102.147 ± 0.006°
γ	90°
Cell volume	1614.67 ± 0.17 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.0482
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.0901
Weighted residual factors for all reflections included in the refinement	0.0954
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
301806 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure.	2236707.cif 2236707.hkl
181289	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 2/23/67.	2236707.cif 2236707.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.	2236707.cif 2236707.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2236707.cif 2236707.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.	2236707.cif 2236707.hkl
74188	2013-02-22	hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013.	2236707.cif 2236707.hkl
70307	2012-12-21	cif/ Adding structures of 2236707 via cif-deposit CGI script.	2236707.cif