Crystallography Open Database

Information card for entry 4102721

Preview

Coordinates	4102721.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Ar[Np]N)2(tBuC(H)NAr)TaOCH2OTi(N[tBu]Ar)3
Formula	C88.5 H145 N6 O2 Ta Ti
Calculated formula	C78.5 H121 N6 O2 Ta Ti
Title of publication	Carbon Dioxide Reduction by Terminal Tantalum Hydrides: Formation and Isolation of Bridging Methylene Diolate Complexes
Authors of publication	Matthew A. Rankin; Christopher C. Cummins
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	10021 - 10023
a	18.7446 ± 0.0014 Å
b	38.429 ± 0.003 Å
c	12.6441 ± 0.0009 Å
α	90°
β	104.354 ± 0.001°
γ	90°
Cell volume	8823.7 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0597
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1097
Weighted residual factors for all reflections included in the refinement	0.1129
Goodness-of-fit parameter for all reflections included in the refinement	1.174
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4102721.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102721.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102721.cif
25623	2011-09-12	../uploads/cif-deposit/cod/cif Adding structures of 4102721 via cif-deposit CGI script.	4102721.cif