Crystallography Open Database

Information card for entry 1570517

Preview

Coordinates	1570517.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H32 Fe N12 Ni
Calculated formula	C28 H32 Fe N12 Ni
SMILES	[Fe]([n]1cn(CC=C)cc1)([n]1cn(cc1)CC=C)([n]1cn(CC=C)cc1)([n]1cn(cc1)CC=C)[N]#C[Ni](C#N)(C#N)C#[N][Fe]([n]1cn(CC=C)cc1)([n]1cn(cc1)CC=C)([n]1cn(CC=C)cc1)([n]1cn(cc1)CC=C)[N]#C[Ni](C#N)(C#N)C#[N]
Title of publication	The Synthesis and Crystal Structures of New One- and Two-Dimensional Fe(II) Coordination Polymers Using Imidazole Derivatives
Authors of publication	Kosuge, Ryota; Kawasaki, Takeshi; Kitase, Kosuke; Kosone, Takashi
Journal of publication	Crystals
Year of publication	2023
Journal volume	13
Journal issue	12
Pages of publication	1658
a	8.8641 ± 0.0007 Å
b	10.0807 ± 0.001 Å
c	10.235 ± 0.001 Å
α	106.771 ± 0.001°
β	105.118 ± 0.001°
γ	103.206 ± 0.001°
Cell volume	798.42 ± 0.13 Å³
Cell temperature	275 ± 2 K
Ambient diffraction temperature	275 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0588
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.1114
Weighted residual factors for all reflections included in the refinement	0.1299
Goodness-of-fit parameter for all reflections included in the refinement	0.747
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKa
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288092 (current)	2023-12-06	cif/ Adding structures of 1570517 via cif-deposit CGI script.	1570517.cif