Crystallography Open Database

Information card for entry 4335218

Preview

Structure parameters

Formula	C70 H72 Cl4 N4 O4 Zn2
Calculated formula	C70 H72 Cl4 N4 O4 Zn2
SMILES	c12ccccc1[N]1=Cc3cc(cc(c3O[Zn]341[N]2=Cc1c(ccc(c1)c1ccccc1)[O]3[Zn]123[N](=Cc5c(ccc(c5)c5ccccc5)[O]42)c2ccccc2[N]1=Cc1cc(cc(c1O3)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C.C(Cl)Cl.C(Cl)Cl
Title of publication	Crowded Bis-(M-salphen) [M = Pt(II), Zn(II)] Coordination Architectures: Luminescent Properties and Ion-Selective Responses
Authors of publication	Wah-Leung Tong; Shek-Man Yiu; Michael C. W. Chan
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7114 - 7124
a	12.1686 ± 0.0007 Å
b	24.5323 ± 0.0009 Å
c	11.6177 ± 0.0006 Å
α	90°
β	114.578 ± 0.006°
γ	90°
Cell volume	3153.9 ± 0.3 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 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	0.0305
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0754
Weighted residual factors for all reflections included in the refinement	0.0762
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4335218.cif
179455	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/52.	4335218.cif
101126	2014-02-10	cif/ Adding structures of 4335218 via cif-deposit CGI script.	4335218.cif