Crystallography Open Database

Information card for entry 7029241

Preview

Coordinates	7029241.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[CpTa(u-NAr)(BH4)]2
Formula	C34 H52 B2 N2 Ta2
Calculated formula	C34 H52 B2 N2 Ta2
SMILES	[Ta]1234567([Ta]89%10%11%12([H][BH2][H]8)(N1c1c(cccc1C(C)C)C(C)C)(N2c1c(cccc1C(C)C)C(C)C)[cH]1[cH]9[cH]%10[cH]%11[cH]%121)([H][BH2][H]7)[cH]1[cH]3[cH]4[cH]5[cH]61
Title of publication	Group 5 hydride and borohydride complexes supported by cyclopentadienyl-imido ligand sets.
Authors of publication	McLeod, Nicolas A.; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Mountford, Philip; Nikonov, Georgii I.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	1
Pages of publication	188 - 195
a	10.677 ± 0.0002 Å
b	20.3428 ± 0.0002 Å
c	15.7568 ± 0.0002 Å
α	90°
β	96.4877 ± 0.0005°
γ	90°
Cell volume	3400.46 ± 0.08 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0407
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for all reflections	0.0502
Weighted residual factors for significantly intense reflections	0.0291
Weighted residual factors for all reflections included in the refinement	0.0291
Goodness-of-fit parameter for all reflections included in the refinement	1.0738
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
179998 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/92.	7029241.cif
105552	2014-03-12	cif/ Adding structures of 7029239, 7029240, 7029241 via cif-deposit CGI script.	7029241.cif