Crystallography Open Database

Information card for entry 4306127

Preview

Coordinates	4306127.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H57 N6 O3 Y
Calculated formula	C36 H57 N6 O3 Y
Title of publication	Comparisons between Yttrium and Titanium N-Heterocyclic Carbene Complexes in the Search for Early Transition Metal NHC Backbonding Interactions
Authors of publication	Polly L. Arnold; Sergey Zlatogorsky; Natalie A. Jones; Christopher D. Carmichael; Stephen T. Liddle; Alexander J. Blake; Claire Wilson
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	9042 - 9049
a	19.4197 ± 0.0008 Å
b	10.5484 ± 0.0004 Å
c	39.2849 ± 0.0017 Å
α	90°
β	95.94 ± 0.003°
γ	90°
Cell volume	8004.2 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1308
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.122
Weighted residual factors for all reflections included in the refinement	0.1477
Goodness-of-fit parameter for all reflections included in the refinement	0.948
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
179099 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/61.	4306127.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306127.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306127.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4306127.cif