Crystallography Open Database

Information card for entry 7003665

Preview

Coordinates	7003665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H80 N4 Na4 O6
Calculated formula	C52 H80 N4 Na4 O6
Title of publication	Synthetic and structural investigations of alkali metal diamine bis(phenolate) complexes
Authors of publication	Clegg, William; Davidson, Matthew G.; Graham, David V.; Griffen, Gemma; Jones, Matthew D.; Kennedy, Alan R.; O'Hara, Charles T.; Russo, Luca; Thomson, Calum M.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	10
Pages of publication	1295 - 1301
a	16.2626 ± 0.0004 Å
b	16.8683 ± 0.0006 Å
c	21.4569 ± 0.0005 Å
α	90°
β	111.185 ± 0.002°
γ	90°
Cell volume	5488.3 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
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	0.1479
Residual factor for significantly intense reflections	0.0839
Weighted residual factors for significantly intense reflections	0.1947
Weighted residual factors for all reflections included in the refinement	0.235
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179740 (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 7/00/36.	7003665.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003665.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003665.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.	7003665.cif