Crystallography Open Database

Information card for entry 4310014

Preview

Coordinates	4310014.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H57 N O6 Ti
Calculated formula	C30 H57 N O6 Ti
SMILES	[Ti]12(Oc3c(cc(cc3C[N]2(CC[O]1C)CCOC)C(C)(C)C)C(C)(C)C)(OC(C)C)(OC(C)C)OC(C)C
Title of publication	Group IV Complexes of a Tetradentate Amine Mono(phenolate) Ligand: a Second Side-Arm Donor Stabilizes Cationic Species
Authors of publication	Stanislav Groysman; Ekaterina Sergeeva; Israel Goldberg; Moshe Kol
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	8188 - 8190
a	14.352 ± 0.0002 Å
b	15.556 ± 0.0004 Å
c	16.992 ± 0.0004 Å
α	105.077 ± 0.0012°
β	114.346 ± 0.0011°
γ	92.126 ± 0.0015°
Cell volume	3292.07 ± 0.13 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0607
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.1115
Weighted residual factors for all reflections included in the refinement	0.1237
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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
179139 (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 4/31/00.	4310014.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310014.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310014.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4310014.cif