Crystallography Open Database

Information card for entry 7103773

Preview

Coordinates	7103773.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C131 H170 Cl8 K2 O18.5 Ti2
Calculated formula	C130 H164 Cl9 K2 O18.5 Ti2
Title of publication	A heterobimetallic K2Ti2 complex incorporating two calix[5]arenes: A diverse array of metal - ligand interplay
Authors of publication	Robert Norman Lamb; Donald C. Craig; Antonella J. Petrella; Colin Raston; Nicholas K. Roberts
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2003
a	17.118 ± 0.002 Å
b	18.018 ± 0.003 Å
c	25.197 ± 0.004 Å
α	85.914 ± 0.002°
β	70.719 ± 0.002°
γ	74.888 ± 0.002°
Cell volume	7081 ± 3 Å³
Cell temperature	294 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.11
Weighted residual factors for all reflections included in the refinement	0.174
Goodness-of-fit parameter for all reflections included in the refinement	2.1
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
213973 (current)	2019-03-05	cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries.	7103773.cif
180140	2016-03-26	cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/37.	7103773.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7103773.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7103773.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	7103773.cif
823	2009-09-25	cif/ Depositing information from the Chem-Comm-2003_01-17 and J-Org-Chem-2007_13-20 publications.	7103773.cif