Crystallography Open Database

Information card for entry 7113607

Preview

Coordinates	7113607.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H102 Cl6 Cu12 N12 O28 V
Calculated formula	C104 H90 Cl6 Cu12 N12 O28 V
Title of publication	Encapsulation of paramagnetic 3d1-vanadium(IV) in an antiferromagnetically coupled dodecanuclear copper(II) cage
Authors of publication	Mukherjee, Arindam; Nethaji, Munirathinam; Chakravarty, Akhil R.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	24
Pages of publication	2978 - 2979
a	16.001 ± 0.003 Å
b	16.001 ± 0.003 Å
c	79.15 ± 0.04 Å
α	90°
β	90°
γ	120°
Cell volume	17550 ± 10 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	7
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0964
Residual factor for significantly intense reflections	0.0729
Weighted residual factors for significantly intense reflections	0.2191
Weighted residual factors for all reflections included in the refinement	0.2494
Goodness-of-fit parameter for all reflections included in the refinement	1.147
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7103913
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210734 (current)	2018-09-10	cif/7/ Updating bibliography in entries 7103913, 7113607. Marking entry 7113607 as a duplicate of entry 7103913.	7113607.cif
180250	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/36.	7113607.cif
115158	2014-06-02	cif/ Adding structures of 7113607 via cif-deposit CGI script.	7113607.cif