Crystallography Open Database

Information card for entry 7003262

Preview

Coordinates	7003262.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H20 F20 N4 Ni O1.5
Calculated formula	C42 H20 F20 N4 Ni O1.5
Title of publication	A series of metal complexes with the non-innocent N,N′-bis(pentafluorophenyl)-o-phenylenediamido ligand: twisted geometry for tuning the electronic structure
Authors of publication	Khusniyarov, Marat M.; Harms, Klaus; Burghaus, Olaf; Sundermeyer, Jörg; Sarkar, Biprajit; Kaim, Wolfgang; van Slageren, Joris; Duboc, Carole; Fiedler, Jan
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	10
Pages of publication	1355 - 1365
a	58.619 ± 0.003 Å
b	15.3293 ± 0.0006 Å
c	8.6322 ± 0.0004 Å
α	90°
β	97.288 ± 0.003°
γ	90°
Cell volume	7694.1 ± 0.6 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0878
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.1413
Weighted residual factors for all reflections included in the refinement	0.1545
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
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.	7003262.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003262.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003262.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003262.cif