Crystallography Open Database

Information card for entry 7022367

Preview

Coordinates	7022367.cif
Original paper (by DOI)	HTML
External links	PubChem

Structure parameters

Formula	C164 H190 Cl12 Fe8 O37
Calculated formula	C164 H190 Cl12 Fe8 O37
SMILES	C1(C(C)(C)C)=[O][Fe]2345OC(C(C)(C)C)=[O][Fe]67(OC(C(C)(C)C)=[O][Fe]89(OC(C(C)(C)C)=[O][Fe]%10%11(OC(C(C)(C)C)=[O][Fe]%12%13(OC(C(C)(C)C)=[O][Fe]%14%15(OC(C(C)(C)C)=[O][Fe]%16%17(OC(C(C)(C)C)=[O][Fe]([OH]5)(O1)([O]=C(O2)C(C)(C)C)([O]%16c1ccc(cc1)c1ccccc1)[O]%17c1ccc(cc1)c1ccccc1)([O]=C(O%14)C(C)(C)C)[OH]%15)([O]%12c1ccc(cc1)c1ccccc1)[O]%13c1ccc(cc1)c1ccccc1)([O]=C(O%10)C(C)(C)C)[OH]%11)([O]8c1ccc(cc1)c1ccccc1)[O]9c1ccc(cc1)c1ccccc1)([O]=C(O6)C(C)(C)C)[OH]7)([O]3c1ccc(cc1)c1ccccc1)[O]4c1ccc(cc1)c1ccccc1.C(=C(Cl)Cl)Cl.O.C(=C(Cl)Cl)Cl.C(=C(Cl)Cl)Cl.C(=C(Cl)Cl)Cl
Title of publication	Synthesis of monodispersed magnetite nanoparticles from iron pivalate clusters.
Authors of publication	Abdulwahab, Khadijat; Malik, Mohammad A.; O'Brien, Paul; Govender, Kuveshni; Muryn, Christopher A.; Timco, Grigore A.; Tuna, Floriana; Winpenny, Richard E. P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	1
Pages of publication	196 - 206
a	20.188 ± 0.0003 Å
b	20.188 ± 0.0003 Å
c	21.5726 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	8792 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	85
Hermann-Mauguin space group symbol	P 4/n :2
Hall space group symbol	-P 4a
Residual factor for all reflections	0.0926
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1481
Weighted residual factors for all reflections included in the refinement	0.1685
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7022367.cif
179928	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/23.	7022367.cif
90053	2013-11-17	cif/ Adding structures of 7022367 via cif-deposit CGI script.	7022367.cif