Crystallography Open Database

Information card for entry 4070985

Preview

Coordinates	4070985.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H56 Hf Li2 N4
Calculated formula	C22 H56 Hf Li2 N4
SMILES	[Hf]123(CC)([CH2]([Li]4([CH2]3[CH2]2[Li]2([CH2]1C)[N](CC[N]2(C)C)(C)C)[N](CC[N]4(C)C)(C)C)C)CC
Title of publication	Ethylene Complexes of the Early Transition Metals: Crystal Structures of [HfEt4(C2H4)2−] and the Negative-Oxidation-State Species [TaHEt(C2H4)33−] and [WH(C2H4)43−]
Authors of publication	Morse, Paige M.; Shelby, Quinetta D.; Kim, Do Young; Girolami, Gregory S.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	5
Pages of publication	984
a	21.61 ± 0.003 Å
b	17.342 ± 0.002 Å
c	32.154 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	12050 ± 3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
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	0.0683
Residual factor for significantly intense reflections	0.0242
Weighted residual factors for significantly intense reflections	0.037
Weighted residual factors for all reflections included in the refinement	0.0391
Goodness-of-fit parameter for all reflections included in the refinement	0.714
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
178598 (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 4/07/09.	4070985.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070985.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070985.cif
42955	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070985 via cif-deposit CGI script.	4070985.cif