Crystallography Open Database

Information card for entry 7007719

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Structure parameters

Common name	05327
Formula	C19 H16 N2 O
Calculated formula	C19 H16 N2 O
SMILES	O=CC(=CNc1c2ncccc2ccc1)c1ccc(cc1)C
Title of publication	Synthesis and structures of acyclic monoanionic tetradentate aza beta-diketiminate complexes of magnesium, zinc, and cadmium.
Authors of publication	Fritsch, Joseph M.; Thoreson, Kristen A.; McNeill, Kristopher
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	40
Pages of publication	4814 - 4820
a	11.4241 ± 0.0018 Å
b	6.137 ± 0.001 Å
c	11.8007 ± 0.0018 Å
α	90°
β	116.708 ± 0.002°
γ	90°
Cell volume	739.1 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0446
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.074
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
202017 (current)	2017-10-14	cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	7007719.cif
179781	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 7/00/77.	7007719.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7007719.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7007719.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7007719.cif