Crystallography Open Database

Information card for entry 7007565

Preview

Coordinates	7007565.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	holph18
Formula	C92 H126 K4 N8 O
Calculated formula	C92 H126 K4 N8 O
Title of publication	A dinucleating ligand related to the beta-diketiminates.
Authors of publication	Hebden, Travis J.; Brennessel, William W.; Flaschenriem, Christine J.; Holland, Patrick L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	32
Pages of publication	3855 - 3857
a	14.1939 ± 0.0007 Å
b	14.1939 ± 0.0007 Å
c	37.812 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	6597.3 ± 0.8 Å³
Cell temperature	223 ± 0.5 K
Ambient diffraction temperature	223 ± 0.5 K
Number of distinct elements	5
Space group number	154
Hermann-Mauguin space group symbol	P 32 2 1
Hall space group symbol	P 32 2"
Residual factor for all reflections	0.1051
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1184
Weighted residual factors for all reflections included in the refinement	0.137
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
179779 (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 7/00/75.	7007565.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7007565.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7007565.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7007565.cif