Crystallography Open Database

Information card for entry 7012984

Preview

Coordinates	7012984.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49.5 H53 Cl3 N6 Ni3 O6
Calculated formula	C49.5 H49 Cl3 N6 Ni3 O6
Title of publication	The novel triplesalen ligand bridges three NiII-salen subunits in a meta-phenylene linkage
Authors of publication	Thorsten Glaser; Maik Heidemeier; Thomas Lügger
Journal of publication	Dalton Trans.
Year of publication	2003
Journal issue	12
Pages of publication	2381 - 2383
a	26.4321 ± 0.001 Å
b	12.7252 ± 0.0005 Å
c	30.8525 ± 0.0011 Å
α	90°
β	110.721 ± 0.001°
γ	90°
Cell volume	9706.1 ± 0.6 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
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	0.0614
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.105
Weighted residual factors for all reflections included in the refinement	0.1141
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
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.	7012984.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7012984.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7012984.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7012984.cif