Crystallography Open Database

Information card for entry 7126377

Preview

Coordinates	7126377.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71.5 H30 B Cl3 F20 N4 Ni2 O3
Calculated formula	C71.5 H30 B Cl3 F20 N4 Ni2 O3
Title of publication	A tetranuclear nickel cluster isolated in multiple high-valent states.
Authors of publication	Jacob, Samuel I.; Douair, Iskander; Wu, Guang; Maron, Laurent; Ménard, Gabriel
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	59
Pages of publication	8182 - 8185
a	17.673 ± 0.009 Å
b	19 ± 0.009 Å
c	19.53 ± 0.008 Å
α	87.662 ± 0.012°
β	78.355 ± 0.015°
γ	89.016 ± 0.017°
Cell volume	6417 ± 5 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1639
Residual factor for significantly intense reflections	0.1084
Weighted residual factors for significantly intense reflections	0.3016
Weighted residual factors for all reflections included in the refinement	0.3499
Goodness-of-fit parameter for all reflections included in the refinement	1.0956
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
254904 (current)	2020-08-06	cif/ Updating files of 7126375, 7126376, 7126377, 7126378 Original log message: Adding full bibliography for 7126375--7126378.cif.	7126377.cif
250828	2020-04-16	cif/ Adding structures of 7126375, 7126376, 7126377, 7126378 via cif-deposit CGI script.	7126377.cif