Crystallography Open Database

Information card for entry 7007564

Preview

Coordinates	7007564.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	HolTH02
Formula	C44 H60 N4
Calculated formula	C44 H60 N4
SMILES	N(=C(\Cc1c2ccccc2c(CC(=N\c2c(cccc2C(C)C)C(C)C)/C(C)(C)C)nn1)C(C)(C)C)\c1c(cccc1C(C)C)C(C)C
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	17.384 ± 0.003 Å
b	17.457 ± 0.003 Å
c	13.119 ± 0.002 Å
α	90°
β	100.347 ± 0.003°
γ	90°
Cell volume	3916.5 ± 1.1 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.068
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1381
Weighted residual factors for all reflections included in the refinement	0.1509
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
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.	7007564.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7007564.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7007564.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7007564.cif