Crystallography Open Database

Information card for entry 7002277

Preview

Coordinates	7002277.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H36 I6 N16 U2
Calculated formula	C44 H36 I6 N16 U2
Title of publication	First reductive dimerization of a polycyclic azine
Authors of publication	Berthet, Jean-Claude; Thuéry, Pierre; Baudin, Cécile; Boizot, Bruno; Ephritikhine, Michel
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	37
Pages of publication	7613 - 7616
a	25.314 ± 0.002 Å
b	13.4164 ± 0.0009 Å
c	16.0957 ± 0.001 Å
α	90°
β	90.106 ± 0.008°
γ	90°
Cell volume	5466.5 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.158
Residual factor for significantly intense reflections	0.0772
Weighted residual factors for significantly intense reflections	0.1747
Weighted residual factors for all reflections included in the refinement	0.2138
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
179720 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/22.	7002277.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7002277.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002277.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002277.cif