Crystallography Open Database

Information card for entry 7708956

Preview

Coordinates	7708956.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H45 N14 O4 W
Calculated formula	C44 H45 N14 O4 W
SMILES	[W](C#N)(C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#N.n1c(c2[nH+]c(ccc2)C)cccc1C.n1c(c2[nH+]c(ccc2)C)cccc1C.[nH+]1c(c2nc(ccc2)C)cccc1C.O.O.O.O
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	17.493 ± 0.0001 Å
b	12.5476 ± 0.0001 Å
c	21.7724 ± 0.0002 Å
α	90°
β	109.047 ± 0.001°
γ	90°
Cell volume	4517.3 ± 0.07 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0382
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0635
Weighted residual factors for all reflections included in the refinement	0.0678
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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.	7708956.cif