Crystallography Open Database

Information card for entry 7019614

7019613 << 7019614 >> 7019615

Preview

Coordinates	7019614.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(NONO)2Zn6I]
Formula	C38 H69 I N4 O7 Zn6
Calculated formula	C38 H69 I N4 O7 Zn6
SMILES	[I]1[Zn]2([O]3[Zn]45([N](=C(C=C3C)C)CC[N]4=C(C=C([O]25)C)C)[O]23[Zn]4([O]5[Zn]678[N](=C(C=C5C)C)CC[N]8=C(C=C([O]47[Zn]2([O]6([Zn]13CC)CC)CC)C)C)CC)CC.O1CCCC1
Title of publication	A 1D Schiff base zinc polymer as a versatile metallo-ligand for the synthesis of polynuclear zinc cages.
Authors of publication	Richards, Anne F.; Aprile, Antonino; Hogan, Conor F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	27
Pages of publication	8361 - 8367
a	21.7613 ± 0.001 Å
b	12.3586 ± 0.0008 Å
c	18.5174 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	4980.1 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0818
Residual factor for significantly intense reflections	0.0659
Weighted residual factors for significantly intense reflections	0.1532
Weighted residual factors for all reflections included in the refinement	0.1637
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179900 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/96.	7019614.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019614.cif
62921	2012-07-09	cif/ Adding structures of 7019613, 7019614, 7019615, 7019616 via cif-deposit CGI script.	7019614.cif