Crystallography Open Database

Information card for entry 4348343

Preview

Coordinates	4348343.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H32 B2 F8 N12 Ni3 O4
Calculated formula	C36 H32 B2 F8 N12 Ni3 O4
SMILES	[B](F)(F)(F)[F-].c1cccc2[n]1[Ni]13(n4c2cc2c5n6[Ni]7([n]42)[n]2c(c4n7[n]1c(c4)c1[n]3cccc1)cc1c3cccc[n]3[Ni]3(n21)([n]6c(c5)c1[n]3cccc1)([OH]C)[OH]C)([OH]C)[OH]C.[B](F)(F)(F)[F-]
Title of publication	Planar trinuclear complexes with linear arrays of metal ions
Authors of publication	Terashima, Shotaro; Newton, Graham N.; Shiga, Takuya; Oshio, Hiroki
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2015
Journal volume	2
Journal issue	2
Pages of publication	125
a	9.771 ± 0.004 Å
b	14.196 ± 0.006 Å
c	14.513 ± 0.006 Å
α	90°
β	90.374 ± 0.008°
γ	90°
Cell volume	2013 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0943
Residual factor for significantly intense reflections	0.0827
Weighted residual factors for significantly intense reflections	0.2113
Weighted residual factors for all reflections included in the refinement	0.2299
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
232881 (current)	2019-11-23	cif/ Adding structures of 4348342, 4348343 via cif-deposit CGI script.	4348343.cif