Crystallography Open Database

Information card for entry 7714920

Preview

Coordinates	7714920.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39.92 H47.28 Cl0.12 N7 Ni O6.16
Calculated formula	C39.92 H47.28 Cl0.12 N7 Ni O6.16
Title of publication	A mesoionic carbene stabilized nickel(II) hydroxide complex: a facile precursor for C-H activation chemistry.
Authors of publication	Pavun, Anna; Niess, Raffael; Scheibel, Lucas A.; Seidl, Michael; Hohloch, Stephan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	6
Pages of publication	2749 - 2761
a	12.26757 ± 0.00015 Å
b	13.99843 ± 0.00013 Å
c	22.5929 ± 0.0002 Å
α	90°
β	97.2879 ± 0.0011°
γ	90°
Cell volume	3848.46 ± 0.07 Å³
Cell temperature	123 ± 0.1 K
Ambient diffraction temperature	123 ± 0.1 K
Number of distinct elements	6
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	0.0733
Residual factor for significantly intense reflections	0.0638
Weighted residual factors for significantly intense reflections	0.1631
Weighted residual factors for all reflections included in the refinement	0.1682
Goodness-of-fit parameter for all reflections included in the refinement	1.121
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
290167 (current)	2024-03-04	cif/ Updating files of 7714908, 7714909, 7714910, 7714911, 7714912, 7714913, 7714914, 7714915, 7714916, 7714917, 7714918, 7714919, 7714920 Original log message: Adding full bibliography for 7714908--7714920.cif.	7714920.cif
288690	2024-01-05	cif/ Adding structures of 7714908, 7714909, 7714910, 7714911, 7714912, 7714913, 7714914, 7714915, 7714916, 7714917, 7714918, 7714919, 7714920 via cif-deposit CGI script.	7714920.cif