Crystallography Open Database

Information card for entry 2231414

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Structure parameters

Chemical name	<i>catena</i>-Poly[[bis[[bis(3-aminopropyl)amine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''](thiocyanato-κ<i>N</i>)cadmium]- μ~4~-sulfato-κ^4^<i>O</i>,<i>O</i>:<i>O</i>',<i>O</i>'] methanol hemisolvate]
Formula	C14.5 H36 Cd2 N8 O4.5 S3
Calculated formula	C14.5 H36 Cd2 N8 O4.5 S3
Title of publication	<i>catena</i>-Poly[[bis[[bis(3-aminopropyl)amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''](thiocyanato-κ<i>N</i>)cadmium]-μ~4~-sulfato-κ^4^<i>O</i>,<i>O</i>:<i>O</i>',<i>O</i>'] methanol hemisolvate]
Authors of publication	Boeckmann, Jan; Näther, Christian
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	9
Pages of publication	m1201 - m1202
a	10.6648 ± 0.0009 Å
b	12.4441 ± 0.0012 Å
c	12.924 ± 0.0012 Å
α	61.359 ± 0.01°
β	69.064 ± 0.01°
γ	68.772 ± 0.01°
Cell volume	1367.3 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0614
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.1063
Weighted residual factors for all reflections included in the refinement	0.1133
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
181236 (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 2/23/14.	2231414.cif 2231414.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.	2231414.cif 2231414.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2231414.cif 2231414.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.	2231414.cif 2231414.hkl
27934	2011-10-07	hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates.	2231414.cif 2231414.hkl
27539	2011-10-07	../uploads/cif-deposit/cod/cif Adding structures of 2231414 via cif-deposit CGI script.	2231414.cif