Crystallography Open Database

Information card for entry 4335073

Preview

Coordinates	4335073.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H35 Cl2 Cu N8 O19.5
Calculated formula	C27 H32 Cl2 Cu N8 O19.498
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	11.691 ± 0.007 Å
b	13.37 ± 0.007 Å
c	14.054 ± 0.007 Å
α	111.36 ± 0.012°
β	94.264 ± 0.015°
γ	113.549 ± 0.012°
Cell volume	1812.2 ± 1.7 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	0.0831
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1241
Weighted residual factors for all reflections included in the refinement	0.1432
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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.	4335073.cif
100977	2014-02-10	cif/ Adding structures of 4335073 via cif-deposit CGI script.	4335073.cif