Crystallography Open Database

Information card for entry 2232002

2232001 << 2232002 >> 2232003

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Structure parameters

Chemical name	Di-μ-chlorido-bis{[1,2-bis(pyridin-2-ylmethoxy)benzene- κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>N</i>']chloridocadmium}
Formula	C36 H32 Cd2 Cl4 N4 O4
Calculated formula	C36 H32 Cd2 Cl4 N4 O4
SMILES	c1cccc2C[O]3c4c([O]5Cc6[n](cccc6)[Cd]635([n]12)([Cl][Cd]123([n]5ccccc5C[O]2c2ccccc2[O]3Cc2[n]1cccc2)([Cl]6)Cl)Cl)cccc4
Title of publication	Di-μ-chlorido-bis{[1,2-bis(pyridin-2-ylmethoxy)benzene-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>N</i>']chloridocadmium}
Authors of publication	Gao, Jin-Sheng; Yu, Ying-Hui; Liu, Ying; Hou, Guang-Feng
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	10
Pages of publication	m1415
a	10.833 ± 0.002 Å
b	10.968 ± 0.002 Å
c	16.095 ± 0.003 Å
α	90°
β	109.14 ± 0.03°
γ	90°
Cell volume	1806.6 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0227
Residual factor for significantly intense reflections	0.0194
Weighted residual factors for significantly intense reflections	0.047
Weighted residual factors for all reflections included in the refinement	0.048
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
181242 (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 2/23/20.	2232002.cif 2232002.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.	2232002.cif 2232002.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2232002.cif 2232002.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.	2232002.cif 2232002.hkl
29951	2011-11-08	hkl/ Adding the most recent Fobs data from the IUCr journals.	2232002.cif 2232002.hkl
29291	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 2232002 via cif-deposit CGI script.	2232002.cif