Crystallography Open Database

Information card for entry 4326329

Preview

Coordinates	4326329.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H40 B4 O Ta2
Calculated formula	C20 H38 B4 O Ta2
Title of publication	Synthesis, Characterization, and Electronic Structure of New Type of Heterometallic Boride Clusters
Authors of publication	Shubhankar Kumar Bose; K. Geetharani; Satyanarayan Sahoo; K. Hari Krishna Reddy; Babu Varghese; Eluvathingal D. Jemmis; Sundargopal Ghosh
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	9414 - 9422
a	8.752 ± 0.0004 Å
b	10.2507 ± 0.0004 Å
c	14.9209 ± 0.0005 Å
α	71.085 ± 0.001°
β	77.089 ± 0.002°
γ	73.679 ± 0.002°
Cell volume	1202.32 ± 0.08 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0342
Residual factor for significantly intense reflections	0.024
Weighted residual factors for significantly intense reflections	0.0503
Weighted residual factors for all reflections included in the refinement	0.0567
Goodness-of-fit parameter for all reflections included in the refinement	1.125
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
179366 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/63.	4326329.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326329.cif
48493	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4326329 via cif-deposit CGI script.	4326329.cif