Crystallography Open Database

Information card for entry 4348926

Preview

Coordinates	4348926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H47 B4 F16 N15 Ni3 O7
Calculated formula	C34 H40 B4 F16 N15 Ni3 O7
SMILES	[Ni]123([OH2])([OH]C)[n]4n(ccc4)c4[n]1c(ccc4)C=[N]2N1[Ni]24([OH]C)([OH]C)[n]5n(ccc5)c5[n]2c(ccc5)C=[N]4N2[Ni]45([OH]C)([OH]C)[n]6n(ccc6)c6[n]4c(ccc6)C=[N]5[N]3=C12.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].OC
Title of publication	Planar copper and nickel triangles with a guanidine-derived ligand
Authors of publication	Matsumoto, Takuto; Sato, Yamato; Shiga, Takuya; Oshio, Hiroki
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2015
Journal volume	2
Journal issue	8
Pages of publication	725
a	10.0521 ± 0.0008 Å
b	11.4299 ± 0.0009 Å
c	22.6136 ± 0.0018 Å
α	77.666 ± 0.001°
β	83.379 ± 0.002°
γ	83.524 ± 0.002°
Cell volume	2510.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1123
Residual factor for significantly intense reflections	0.0861
Weighted residual factors for significantly intense reflections	0.2075
Weighted residual factors for all reflections included in the refinement	0.2276
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
233493 (current)	2019-11-23	cif/ Adding structures of 4348925, 4348926 via cif-deposit CGI script.	4348926.cif