Crystallography Open Database

Information card for entry 2227639

Preview

Structure parameters

Chemical name	Di-μ-iodido-bis{[hydroxy(methoxy)bis(2-pyridyl)methane- κ^3^<i>N</i>,<i>O</i>,<i>N</i>']iodidocadmium(II)}
Formula	C24 H24 Cd2 I4 N4 O4
Calculated formula	C24 H24 Cd2 I4 N4 O4
SMILES	c1cccc2C3(c4cccc[n]4[Cd]4([I][Cd]56([I]4)(I)[n]4ccccc4C(c4cccc[n]54)([O]6C)O)(I)([n]12)[O]3C)O
Title of publication	Di-μ-iodido-bis{[hydroxy(methoxy)bis(2-pyridyl)methane-κ^3^<i>N</i>,<i>O</i>,<i>N</i>']iodidocadmium(II)}
Authors of publication	Esmhosseini, Majid; Safari, Nasser; Amani, Vahid
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	11
Pages of publication	m1434 - m1435
a	9.6684 ± 0.0006 Å
b	10.1083 ± 0.0007 Å
c	16.497 ± 0.0013 Å
α	90°
β	105.365 ± 0.005°
γ	90°
Cell volume	1554.64 ± 0.19 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	0.0368
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0536
Weighted residual factors for all reflections included in the refinement	0.056
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
181197 (current)	2016-04-03	hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/76.	2227639.cif 2227639.hkl
176789	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22.	2227639.cif 2227639.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2227639.cif 2227639.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.	2227639.cif 2227639.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2227639.cif 2227639.hkl
5269	2010-12-22	hkl/ Adding Fobs data for the recent IUCr-published structres.	2227639.cif 2227639.hkl
4676	2010-12-18	../uploads/cif-deposit/cod/cif Adding structures of 2227639 via cif-deposit CGI script.	2227639.cif