Crystallography Open Database

Information card for entry 4000978

Preview

Coordinates	4000978.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H34 F12 Mg O12
Calculated formula	C22 H34 F12 Mg O12
SMILES	FC(C1=CC(=[O][Mg]2(O1)([OH2])([OH2])OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)C(F)(F)F)(F)F.COCCOCCOC.COCCOCCOC
Title of publication	Synthesis, Characterization, and Mass Transport Properties of a Self-Generating Single-Source Magnesium Precursor for MOCVD of MgF2Films
Authors of publication	Fragalà, Maria E.; Toro, Roberta G.; Rossi, Patrizia; Dapporto, Paolo; Malandrino, Graziella
Journal of publication	Chemistry of Materials
Year of publication	2009
Journal volume	21
Journal issue	10
Pages of publication	2062
a	8.952 ± 0.003 Å
b	9.036 ± 0.003 Å
c	11.98 ± 0.01 Å
α	110.44 ± 0.05°
β	108.64 ± 0.04°
γ	97.06 ± 0.03°
Cell volume	829.9 ± 0.9 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.08
Residual factor for significantly intense reflections	0.0773
Weighted residual factors for significantly intense reflections	0.2212
Weighted residual factors for all reflections included in the refinement	0.2338
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4000978.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000978.cif
38860	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4000978 via cif-deposit CGI script.	4000978.cif