Crystallography Open Database

Information card for entry 2236591

Preview

Coordinates	2236591.cif
Structure factors	2236591.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	[μ-<i>N</i>,<i>N</i>'-Bis(2-aminoethyl)ethane-1,2-diamine- κ^4^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^2^,<i>N</i>^2'^]bis{[<i>N</i>,<i>N</i>'- bis(2-aminoethyl)ethane-1,2-diamine- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']cadmium} tetrakis(perchlorate)
Formula	C18 H54 Cd2 Cl4 N12 O16
Calculated formula	C18 H54 Cd2 Cl4 N12 O16
Title of publication	[μ-<i>N</i>,<i>N</i>'-Bis(2-aminoethyl)ethane-1,2-diamine-κ^4^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^2^,<i>N</i>^2'^]bis{[<i>N</i>,<i>N</i>'-bis(2-aminoethyl)ethane-1,2-diamine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']cadmium} tetrakis(perchlorate)
Authors of publication	Goudarziafshar, Hamid; Abbasityula, Yunes; Eigner, Václav; Dušek, Michal
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	9
Pages of publication	m1153 - m1154
a	8.8056 ± 0.0002 Å
b	15.0259 ± 0.0003 Å
c	14.7516 ± 0.0003 Å
α	90°
β	95.442 ± 0.0017°
γ	90°
Cell volume	1943.02 ± 0.07 Å³
Cell temperature	120 ± 0.14 K
Ambient diffraction temperature	120 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	0.035
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.1027
Weighted residual factors for all reflections included in the refinement	0.1057
Goodness-of-fit parameter for all reflections included in the refinement	2.02
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181287 (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 2/23/65.	2236591.cif 2236591.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.	2236591.cif 2236591.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2236591.cif 2236591.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.	2236591.cif 2236591.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.	2236591.cif 2236591.hkl
70171	2012-12-21	cif/ Adding structures of 2236591 via cif-deposit CGI script.	2236591.cif