Crystallography Open Database

Information card for entry 7702402

Preview

Coordinates	7702402.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(dmbp)(H2O)NiCl2] . CH3NO2
Chemical name	Aqua-dichloro(2,2'-dimethyl-4,4'-bipyrimidine)nickel(II) nitromethane (1:1)
Formula	C11 H15 Cl2 N5 Ni O3
Calculated formula	C11 H15 Cl2 N5 Ni O3
Title of publication	Co-ordination engineering: when can one speak of an “understanding”? Case study of the multidentate ligand 2,2′-dimethyl-4,4′-bipyrimidine †
Authors of publication	Janiak, Christoph; Uehlin, Lars; Wu, He-Ping; Klüfers, Peter; Piotrowski, Holger; Scharmann, Tobias G.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	17
Pages of publication	3121
a	13.506 ± 0.003 Å
b	7.6665 ± 0.001 Å
c	15.374 ± 0.003 Å
α	90°
β	100.69 ± 0.02°
γ	90°
Cell volume	1564.3 ± 0.5 Å³
Cell temperature	200 ± 3 K
Ambient diffraction temperature	200 ± 3 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0552
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0985
Weighted residual factors for all reflections included in the refinement	0.1043
Goodness-of-fit parameter for all reflections included in the refinement	0.942
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
243856 (current)	2019-11-28	cif/ Adding structures of 7702402, 7702403, 7702404, 7702405, 7702406, 7702407, 7702408, 7702409 via cif-deposit CGI script.	7702402.cif