Crystallography Open Database

Information card for entry 4073744

Preview

Coordinates	4073744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H82 Li6 N4
Calculated formula	C64 H82 Li6 N4
Title of publication	Synthesis and Characterization of (2,6-iPrNCN)HfCl2-and (3,5-MeNCN)2Hf2-(where NCN = 2,6-bis[phenylazanidyl]methylphenyl): New Trianionic Pincer Ligands
Authors of publication	Koller, Jürgen; Sarkar, Soumya; Abboud, Khalil A.; Veige, Adam S.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	22
Pages of publication	5438
a	20.091 ± 0.003 Å
b	19.288 ± 0.002 Å
c	29.998 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	11625 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1887
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.0916
Weighted residual factors for all reflections included in the refinement	0.1242
Goodness-of-fit parameter for all reflections included in the refinement	0.874
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
178626 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/37.	4073744.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073744.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073744.cif
46522	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073744 via cif-deposit CGI script.	4073744.cif