Crystallography Open Database

Information card for entry 4070596

Preview

Coordinates	4070596.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H35 B Cl2 N4 O S2 Ta
Calculated formula	C22 H35 B Cl2 N4 O S2 Ta
Title of publication	Near Linear Ta−H−B Geometry: [TaCl2(η-C5Me5){κ3-H,S,S′-H2B(methimazolyl)2}]
Authors of publication	Hill, Anthony F.; Smith, Matthew K.; Wagler, Jörg
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	9
Pages of publication	2137
a	8.596 ± 0.0017 Å
b	14.522 ± 0.003 Å
c	11.155 ± 0.002 Å
α	90°
β	94.99 ± 0.03°
γ	90°
Cell volume	1387.2 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0365
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0837
Weighted residual factors for all reflections included in the refinement	0.0854
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4070596.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070596.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070596.cif
42580	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070596 via cif-deposit CGI script.	4070596.cif