Crystallography Open Database

Information card for entry 7114944

Preview

Coordinates	7114944.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Zn(X6Me3Imme3)(CH3CH2OH)]2+,2(ClO4-)
Formula	C89 H120 Cl2 N6 O16 Zn
Calculated formula	C89 H111 Cl2 N6 O16 Zn
Title of publication	Hydrogen bonding and CH/π interactions for the stabilization of biomimetic zinc complexes: first examples of X-ray characterized alcohol and amide adducts to a tetrahedral dicationic Zn center
Authors of publication	Sénèque, Olivier; Reinaud, Olivia; Giorgi, Michel
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	11
Pages of publication	984
a	13.639 ± 0.001 Å
b	16.006 ± 0.001 Å
c	22.799 ± 0.001 Å
α	88.68 ± 0.01°
β	78.12 ± 0.01°
γ	68.24 ± 0.01°
Cell volume	4515.7 ± 0.6 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1591
Residual factor for significantly intense reflections	0.1126
Weighted residual factors for significantly intense reflections	0.3073
Weighted residual factors for all reflections included in the refinement	0.3457
Goodness-of-fit parameter for all reflections included in the refinement	1.349
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7114944.cif
118437	2014-06-30	cif/ Adding structures of 7114944, 7114945 via cif-deposit CGI script.	7114944.cif