Crystallography Open Database

Information card for entry 4333880

Preview

Coordinates	4333880.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H64 N4 O2 P2 Si4 Ta2
Calculated formula	C49 H64 N4 O2 P2 Si4 Ta2
Title of publication	Reduction of Carbon Dioxide Promoted by a Dinuclear Tantalum Tetrahydride Complex
Authors of publication	Joachim Ballmann; Fraser Pick; Ludovic Castro; Michael D. Fryzuk; Laurent Maron
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	1685 - 1687
a	22.1884 ± 0.0016 Å
b	11.7359 ± 0.0009 Å
c	25.096 ± 0.002 Å
α	90°
β	97.377 ± 0.002°
γ	90°
Cell volume	6480.9 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0737
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1245
Weighted residual factors for all reflections included in the refinement	0.1328
Goodness-of-fit parameter for all reflections included in the refinement	0.966
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
179441 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/38.	4333880.cif
99688	2014-02-03	cif/ Adding structures of 4333880 via cif-deposit CGI script.	4333880.cif