Crystallography Open Database

Information card for entry 4347117

Preview

Coordinates	4347117.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H64 Cl N9 Ni2 O4 S2
Calculated formula	C38 H64 Cl N9 Ni2 O4 S2
Title of publication	Azide Binding Controlled by Steric Interactions in Second Sphere. Synthesis, Crystal Structure, and Magnetic Properties of [Ni(II)2(L)(μ(1,1)-N3)][ClO4] (L = Macrocyclic N6S2 Ligand).
Authors of publication	Jeremies, Alexander; Gruschinski, Sina; Meyer, Michel; Matulis, Vitaly; Ivashkevich, Oleg A.; Kobalz, Karolin; Kersting, Berthold
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	4
Pages of publication	1843 - 1853
a	16.929 ± 0.003 Å
b	23.299 ± 0.005 Å
c	13.836 ± 0.003 Å
α	90°
β	105.73 ± 0.03°
γ	90°
Cell volume	5253 ± 2 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 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	0.0637
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1141
Weighted residual factors for all reflections included in the refinement	0.119
Goodness-of-fit parameter for all reflections included in the refinement	0.893
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
232173 (current)	2019-11-23	cif/ Adding structures of 4347117 via cif-deposit CGI script.	4347117.cif