Crystallography Open Database

Information card for entry 4302660

Preview

Coordinates	4302660.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H44 B2 Cu F8 N6 O
Calculated formula	C32 H44 B2 Cu F8 N6 O
Title of publication	Novel Bispidine Ligands and Their First-Row Transition Metal Complexes: Trigonal Bipyramidal and Trigonal Prismatic Geometries
Authors of publication	Peter Comba; Christina Haaf; Hubert Wadepohl
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	6604 - 6614
a	10.053 ± 0.006 Å
b	11.989 ± 0.007 Å
c	15.407 ± 0.008 Å
α	100.629 ± 0.017°
β	99.844 ± 0.008°
γ	93.785 ± 0.011°
Cell volume	1789.1 ± 1.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1016
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1272
Weighted residual factors for all reflections included in the refinement	0.1606
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179064 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/26.	4302660.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302660.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302660.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4302660.cif