Crystallography Open Database

Information card for entry 7011731

Preview

Coordinates	7011731.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H40 B Cl2 F3 N8 Ni O3 S
Calculated formula	C42 H38 B Cl2 F3 N8 Ni O3 S
Title of publication	Highly labile cationic tris-acetonitrile complexes, [TpRM(NCMe)3]OTf (M = Ni, Co; TpR: hydrotrispyrazolylborato, R = Ph, Me and iPr2): versatile precursors for TpR-containing nickel and cobalt complexes
Authors of publication	Uehara, Kazuhiro; Hikichi, Shiro; Akita, Munetaka
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	18
Pages of publication	3529
a	12.0847 ± 0.0007 Å
b	18.2862 ± 0.0009 Å
c	10.3024 ± 0.0005 Å
α	94.226 ± 0.003°
β	94.121 ± 0.004°
γ	74.878 ± 0.001°
Cell volume	2188.6 ± 0.2 Å³
Cell temperature	213.2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.2904
Goodness-of-fit parameter for all reflections included in the refinement	2.009
Diffraction radiation wavelength	0.7107 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.	7011731.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011731.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011731.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011731.cif