Crystallography Open Database

Information card for entry 7011726

Preview

Coordinates	7011726.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H86 B2 F6 N18 Ni2 O6 S2
Calculated formula	C80 H72 B2 F6 N18 Ni2 O6 S2
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	12.1603 ± 0.0005 Å
b	15.7044 ± 0.0009 Å
c	11.5097 ± 0.0006 Å
α	105.678 ± 0.003°
β	100.386 ± 0.002°
γ	75.685 ± 0.002°
Cell volume	2035.3 ± 0.18 Å³
Cell temperature	213.2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.2451
Goodness-of-fit parameter for all reflections included in the refinement	1.728
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.	7011726.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011726.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011726.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011726.cif