Crystallography Open Database

Information card for entry 7029240

Preview

Coordinates	7029240.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H52 B2 N2 Nb2
Calculated formula	C34 H52 B2 N2 Nb2
SMILES	[Nb]1234567([Nb]89%10%11%12(N1c1c(cccc1C(C)C)C(C)C)(N2c1c(cccc1C(C)C)C(C)C)([H][BH2][H]8)[cH]1[cH]9[cH]%10[cH]%11[cH]%121)([H][BH2][H]7)[cH]1[cH]6[cH]5[cH]4[cH]31
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	10.6798 ± 0.0002 Å
b	20.3557 ± 0.0005 Å
c	15.7752 ± 0.0003 Å
α	90°
β	96.568 ± 0.001°
γ	90°
Cell volume	3406.94 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0432
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0802
Weighted residual factors for all reflections included in the refinement	0.0865
Goodness-of-fit parameter for all reflections included in the refinement	1.135
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.	7029240.cif
105552	2014-03-12	cif/ Adding structures of 7029239, 7029240, 7029241 via cif-deposit CGI script.	7029240.cif