Crystallography Open Database

Information card for entry 7131035

Preview

Coordinates	7131035.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	210610_FAK_KRD452
Formula	C40 H46 Ag B F4 N4
Calculated formula	C40 H46 Ag B F4 N4
SMILES	[Ag]1([N](=C2C(=[N]1c1c(cccc1C(C)C)C(C)C)c1cccc3cccc2c13)c1c(cccc1C(C)C)C(C)C)([N]#CC)[N]#CC.[B](F)(F)(F)[F-]
Title of publication	An optically reversible room-temperature solid-state cobalt(<scp>iii</scp>) photoswitch based on nitro-to-nitrito linkage isomerism
Authors of publication	Deresz, Krystyna A.; Kamiński, Radosław; Kutniewska, Sylwia E.; Krówczyński, Adam; Schaniel, Dominik; Jarzembska, Katarzyna N.
Journal of publication	Chemical Communications
Year of publication	2022
Journal volume	58
Journal issue	97
Pages of publication	13439 - 13442
a	18.707 ± 0.003 Å
b	17.219 ± 0.003 Å
c	14.288 ± 0.003 Å
α	90°
β	121.068 ± 0.007°
γ	90°
Cell volume	3942.2 ± 1.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0813
Residual factor for significantly intense reflections	0.0652
Weighted residual factors for significantly intense reflections	0.1458
Weighted residual factors for all reflections included in the refinement	0.1535
Goodness-of-fit parameter for all reflections included in the refinement	1.197
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
282069 (current)	2023-03-26	cif/7/13/10/ (saulius@starta) Completing bibliography and correcting author names in the 7131035 entry.	7131035.cif
279571	2022-11-26	cif/ Adding structures of 7131029, 7131030, 7131031, 7131032, 7131033, 7131034, 7131035 via cif-deposit CGI script.	7131035.cif