Crystallography Open Database

Information card for entry 4315619

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Coordinates	4315619.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ni(Cl4TMTAA).CH2Cl2
Formula	C23 H20 Cl6 N4 Ni
Calculated formula	C23 H20 Cl6 N4 Ni
Title of publication	New Tetraazaannulene Hosts for Fullerenes
Authors of publication	Jimmy U. Franco; Justin C. Hammons; Daniel Rios; Marilyn M. Olmstead
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	5120 - 5125
a	14.017 ± 0.003 Å
b	16.479 ± 0.003 Å
c	22.848 ± 0.004 Å
α	73.985 ± 0.003°
β	80.445 ± 0.003°
γ	76.468 ± 0.003°
Cell volume	4902.8 ± 1.6 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0985
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1052
Weighted residual factors for all reflections included in the refinement	0.1173
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
179236 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/56.	4315619.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4315619.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4315619.cif
8775	2011-02-08	../uploads/cif-deposit/cod/cif Adding structures of 4315619 via cif-deposit CGI script.	4315619.cif