Crystallography Open Database

Information card for entry 4104043

Preview

Coordinates	4104043.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C155 H200 O20 Ta4
Calculated formula	C155 H200 O20 Ta4
Title of publication	Reductive Coupling of Six Carbon Monoxides by a Ditantalum Hydride Complex
Authors of publication	Takahito Watanabe; Yutaka Ishida; Tsukasa Matsuo; Hiroyuki Kawaguchi
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	3474 - 3475
a	20.306 ± 0.002 Å
b	24.091 ± 0.003 Å
c	34.887 ± 0.004 Å
α	80.559 ± 0.004°
β	78.017 ± 0.004°
γ	73.103 ± 0.003°
Cell volume	15876 ± 3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1047
Residual factor for significantly intense reflections	0.0699
Weighted residual factors for significantly intense reflections	0.1623
Weighted residual factors for all reflections included in the refinement	0.1784
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178786 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/40.	4104043.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104043.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104043.cif
28550	2011-10-29	../uploads/cif-deposit/cod/cif Adding structures of 4104043 via cif-deposit CGI script.	4104043.cif