Crystallography Open Database

Information card for entry 7714909

Preview

Coordinates	7714909.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H69 N7 Ni S
Calculated formula	C65 H69 N7 Ni S
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	15.78 ± 0.05 Å
b	17.42 ± 0.05 Å
c	20.19 ± 0.06 Å
α	90°
β	103.02 ± 0.12°
γ	90°
Cell volume	5407 ± 3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1625
Residual factor for significantly intense reflections	0.1073
Weighted residual factors for significantly intense reflections	0.2033
Weighted residual factors for all reflections included in the refinement	0.2301
Goodness-of-fit parameter for all reflections included in the refinement	1.169
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7714909.html