Crystallography Open Database

Information card for entry 7716197

Preview

Coordinates	7716197.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H48 N Ni P2
Calculated formula	C39 H48 N Ni P2
SMILES	[Ni]12[P](c3c4N2c2c(C(c5ccccc5)(c5ccccc5)c4cc(c3)C)cc(C)cc2[P]1(C(C)C)C(C)C)(C(C)C)C(C)C
Title of publication	Reactivity of low-valent nickel carbonyl species supported by acridane based PNP ligands towards iodoalkanes.
Authors of publication	Park, Sanha; Seo, Mi Sook; Kim, Mingi; Lee, Kang Mun; Graham, Peter M.; Lee, Yunho
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	24
Pages of publication	10120 - 10125
a	9.3611 ± 0.0004 Å
b	12.8811 ± 0.0006 Å
c	14.916 ± 0.0007 Å
α	97.778 ± 0.002°
β	103.185 ± 0.002°
γ	90.545 ± 0.002°
Cell volume	1733.55 ± 0.14 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0706
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.0997
Weighted residual factors for all reflections included in the refinement	0.1218
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
298703 (current)	2025-04-03	cif/7: Fixing Z values and formulae	7716197.cif
292998	2024-07-05	cif/ Updating files of 7716197, 7716198, 7716199, 7716200 Original log message: Adding full bibliography for 7716197--7716200.cif.	7716197.cif
292080	2024-05-29	cif/ Adding structures of 7716197, 7716198, 7716199, 7716200 via cif-deposit CGI script.	7716197.cif