Crystallography Open Database

Information card for entry 7007566

Preview

Coordinates	7007566.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	holph19
Formula	C51.5 H73 K N4 O
Calculated formula	C51.5 H73 K N4 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	9.4799 ± 0.0011 Å
b	32.013 ± 0.004 Å
c	15.8987 ± 0.0018 Å
α	90°
β	99.512 ± 0.002°
γ	90°
Cell volume	4758.6 ± 1 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0966
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.1609
Weighted residual factors for all reflections included in the refinement	0.1784
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7007566.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7007566.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7007566.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7007566.cif