Crystallography Open Database

Information card for entry 4320906

4320905 << 4320906 >> 4320907

Preview

Coordinates	4320906.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Ti(NBu-t){Me3SiN(CH2CH2NSiMe3)2}(py)]
Formula	C22 H49 N5 Si3 Ti
Calculated formula	C22 H49 N5 Si3 Ti
SMILES	[Ti]12(=NC(C)(C)C)(N([Si](C)(C)C)CC[N]1([Si](C)(C)C)CCN2[Si](C)(C)C)[n]1ccccc1
Title of publication	Titanium and Niobium Imido Complexes Derived from Diamidoamine Ligands
Authors of publication	Philip E. Collier; Stephen M. Pugh; Howard S. C. Clark; Jason B. Love; Alexander J. Blake; F. Geoffrey N. Cloke; Philip Mountford
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	2001 - 2005
a	9.857 ± 0.004 Å
b	19.382 ± 0.004 Å
c	16.339 ± 0.005 Å
α	90°
β	102.26 ± 0.04°
γ	90°
Cell volume	3050.3 ± 1.7 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0722
Residual factor for significantly intense reflections	0.062
Weighted residual factors for all reflections	0.1231
Weighted residual factors for significantly intense reflections	0.111
Goodness-of-fit parameter for all reflections	0.72
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
211332 (current)	2018-10-05	cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter.	4320906.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4320906.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	4320906.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320906.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320906.cif
18228	2011-04-28	../uploads/cif-deposit/cod/cif Adding structures of 4320906 via cif-deposit CGI script.	4320906.cif