Crystallography Open Database

Information card for entry 4311443

Preview

Coordinates	4311443.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Co(Tm)2]BF4. 0.5H2O . 0.25THF
Formula	C25 H35 B3 Co F4 N12 O0.75 S6
Calculated formula	C25.5 H32 B3 Co F4 N12 O S6
Title of publication	Cobalt Half-Sandwich, Sandwich, and Mixed Sandwich Complexes with Soft Tripodal Ligands
Authors of publication	Christopher A. Dodds; Mario-Alexander Lehmann; Jonathan F. Ojo; John Reglinski; Mark D. Spicer
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	4927 - 4934
a	34.0403 ± 0.0007 Å
b	12.8344 ± 0.0003 Å
c	19.2489 ± 0.0005 Å
α	90°
β	101.54 ± 0.001°
γ	90°
Cell volume	8239.6 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.086
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1488
Weighted residual factors for all reflections included in the refinement	0.1643
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4311443.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311443.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311443.cif
2942	2010-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4311443 via cif-deposit CGI script.	4311443.cif