Crystallography Open Database

Information card for entry 4313005

Preview

Coordinates	4313005.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H46 N7 Ta
Calculated formula	C39 H46 N7 Ta
SMILES	[Ta]12(n3c(C[N]2(Cc2n1c1c(c2)cccc1)Cc1[nH]c2c(c1)cccc2)cc1ccccc31)(N(C)C)(N(C)C)N(C)C.c1ccccc1
Title of publication	Tantalum Amido and Imido Complexes Supported byTris[(2-indolyl)methyl]amine, a Tetradentate Trianionic Ligand with Reduced π-Donor Character
Authors of publication	Joseph M. Tanski; Gerard Parkin
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	264 - 266
a	8.9822 ± 0.0012 Å
b	33.421 ± 0.005 Å
c	12.0605 ± 0.0016 Å
α	90°
β	98.93 ± 0.003°
γ	90°
Cell volume	3576.6 ± 0.9 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	4
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	0.076
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0737
Weighted residual factors for all reflections included in the refinement	0.0808
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
179183 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/30.	4313005.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313005.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313005.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4313005.cif
6074	2011-01-10	../uploads/cif-deposit/cod/cif Adding structures of 4313005 via cif-deposit CGI script.	4313005.cif