Crystallography Open Database

Information card for entry 7708957

Preview

Coordinates	7708957.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 N10 O2 W
Calculated formula	C20 H20 N10 O2 W
SMILES	[W](C#[NH+])(C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#N.[OH3+].O.[nH+]1c(c2[nH+]c(ccc2)C)cccc1C
Title of publication	Anion–cation interactions in a series of salts with substituted Hphen, Hbpy and H2bpy cations and [W(CN)8]4− anion: polymer with “super-short” N–H⋯N hydrogen bridges containing exclusively anions and H+
Authors of publication	Jurowska, Anna; Hodorowicz, Maciej; Kruczała, Krzysztof; Szklarzewicz, Janusz
Journal of publication	Dalton Transactions
Year of publication	2021
a	15.3579 ± 0.0001 Å
b	14.2995 ± 0.0001 Å
c	20.5069 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	4503.53 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.98 ± 0.13 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0242
Residual factor for significantly intense reflections	0.0187
Weighted residual factors for significantly intense reflections	0.0394
Weighted residual factors for all reflections included in the refinement	0.0406
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
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
270922 (current)	2021-11-30	cif/ Adding structures of 7708955, 7708956, 7708957 via cif-deposit CGI script.	7708957.cif