Crystallography Open Database

Information card for entry 7003569

Preview

Coordinates	7003569.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H20 F2 K N O4
Calculated formula	C14 H20 F2 K N O4
SMILES	[K+].Fc1c([NH-])c(F)ccc1.O1CCOCC1.O1CCOCC1
Title of publication	Synthesis and structural variations of substituted phenylamide complexes of the heavy alkaline earth metals calcium, strontium and barium
Authors of publication	Gärtner, Martin; Görls, Helmar; Westerhausen, Matthias
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	12
Pages of publication	1574 - 1582
a	10.862 ± 0.0003 Å
b	12.3064 ± 0.0005 Å
c	12.4436 ± 0.0004 Å
α	90°
β	96.024 ± 0.002°
γ	90°
Cell volume	1654.18 ± 0.1 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0779
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1299
Weighted residual factors for all reflections included in the refinement	0.1478
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
179739 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/35.	7003569.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003569.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003569.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003569.cif