Crystallography Open Database

Information card for entry 1568180

Preview

Coordinates	1568180.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H48 F10 I2 N4 Ni
Calculated formula	C44 H48 F10 I2 N4 Ni
Title of publication	Solution and solid-state studies of hydrogen and halogen bonding with N-heterocyclic carbene supported nickel(II) fluoride complexes.
Authors of publication	Thangavadivale, Vargini G.; Tendera, Lukas; Bertermann, Rüdiger; Radius, Udo; Beweries, Torsten; Perutz, Robin N.
Journal of publication	Faraday discussions
Year of publication	2023
Journal volume	244
Journal issue	0
Pages of publication	62 - 76
a	17.5163 ± 0.0002 Å
b	18.1903 ± 0.0002 Å
c	18.3475 ± 0.0002 Å
α	104.496 ± 0.001°
β	113.59 ± 0.001°
γ	104.443 ± 0.001°
Cell volume	4767.32 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.044
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.1102
Weighted residual factors for all reflections included in the refinement	0.1135
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
286131 (current)	2023-09-05	cif/ Updating files of 1568178, 1568179, 1568180 Original log message: Adding full bibliography for 1568178--1568180.cif.	1568180.cif
280011	2022-12-23	cif/ Adding structures of 1568178, 1568179, 1568180 via cif-deposit CGI script.	1568180.cif