Crystallography Open Database

Information card for entry 7019615

7019614 << 7019615 >> 7019616

Preview

Coordinates	7019615.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(NO)2zN8(FcCO2)4]
Formula	C76 H92 Fe4 N4 O16 Zn8
Calculated formula	C76 H92 Fe4 N4 O16 Zn8
SMILES	[Zn]1234[O]56[Zn]7([O]=C(O[Zn]895[Zn]56([O]68[Zn]([O]=C(O5)[c]58[Fe]%10%11%12%13%14%15%16([cH]5[cH]%13[cH]%16[cH]8%10)[cH]5[cH]%15[cH]%12[cH]%14[cH]%115)([O]=C(O9)[c]58[Fe]9%10%11%12%13%14%15([cH]([cH]59)[cH]%10[cH]8%11)[cH]5[cH]%12[cH]%13[cH]%15[cH]%145)[O]([Zn]589[O]%10[Zn]6([O]5C(=CC(=[N]9CC[N]8=C(C=C%10C)C)C)C)CC)CC)[O]=C(O7)[c]56[Fe]789%10%11%12%13([cH]([cH]57)[cH]8[cH]69)[cH]5[cH]%11[cH]%12[cH]%13[cH]%105)[c]56[Fe]789%10%11%12%13([cH]5[cH]7[cH]9[cH]68)[cH]5[cH]%10[cH]%11[cH]%13[cH]%125)[O]([Zn]5([O]1C(=CC(=[N]4CC[N]3=C(C=C([O]25)C)C)C)C)CC)CC
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	12.9401 ± 0.0011 Å
b	14.8409 ± 0.0013 Å
c	25.1129 ± 0.0018 Å
α	78.762 ± 0.007°
β	85.067 ± 0.007°
γ	87.677 ± 0.007°
Cell volume	4711.4 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0941
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.1631
Weighted residual factors for all reflections included in the refinement	0.1872
Goodness-of-fit parameter for all reflections included in the refinement	0.98
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7019615.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019615.cif
62921	2012-07-09	cif/ Adding structures of 7019613, 7019614, 7019615, 7019616 via cif-deposit CGI script.	7019615.cif