Crystallography Open Database

Information card for entry 4335074

Preview

Coordinates	4335074.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H31.42 Cl4 Cu N6 O13.71
Calculated formula	C27 H31.422 Cl4 Cu N6 O13.711
Title of publication	Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups
Authors of publication	Peter Comba; Michael Morgen; Hubert Wadepohl
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	6481 - 6501
a	11.018 ± 0.006 Å
b	11.64 ± 0.005 Å
c	14.746 ± 0.007 Å
α	104.756 ± 0.014°
β	101.637 ± 0.009°
γ	105.75 ± 0.009°
Cell volume	1684 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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 all reflections	0.0799
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.0983
Weighted residual factors for all reflections included in the refinement	0.1111
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
179453 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/50.	4335074.cif
100978	2014-02-10	cif/ Adding structures of 4335074 via cif-deposit CGI script.	4335074.cif