Crystallography Open Database

Information card for entry 7115258

Preview

Coordinates	7115258.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cu-BNP-CH3CN-BF4, Nr. 0946
Chemical name	2,2'-Di(1,6-naphthyridine)-acetonitrile-copper(I)tetrafluoroborate dichloromethane (2:1)
Formula	C18.5 H14 B Cl Cu F4 N5
Calculated formula	C18.5 H14 B Cl Cu F4 N5
Title of publication	2,2′-Bi-1,6-naphthyridine metal complexes: a new ligand and a novel 2 ×2 inclined interpenetration of (4,4) nets or formation of helicoidal chains†
Authors of publication	Wu, He-Ping; Janiak, Christoph; Uehlin, Lars; Klüfers, Peter; Mayer, Peter
Journal of publication	Chemical Communications
Year of publication	1998
Journal issue	23
Pages of publication	2637
a	22.4063 ± 0.0016 Å
b	8.1045 ± 0.0004 Å
c	22.5896 ± 0.0018 Å
α	90°
β	100.771 ± 0.009°
γ	90°
Cell volume	4029.8 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
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	0.0551
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0797
Weighted residual factors for all reflections included in the refinement	0.0844
Goodness-of-fit parameter for all reflections included in the refinement	0.91
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.	7115258.cif
120200	2014-07-13	cif/ Adding structures of 7115255, 7115256, 7115257, 7115258 via cif-deposit CGI script.	7115258.cif