Crystallography Open Database

Information card for entry 7716200

Preview

Coordinates	7716200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H50 Br N Ni P2
Calculated formula	C39 H48 Br N Ni P2
SMILES	[Ni]12([P](c3c4N2c2c(cc(cc2[P]1(C(C)C)C(C)C)C)C(c4cc(c3)C)(c1ccccc1)c1ccccc1)(C(C)C)C(C)C)Br
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	9.3589 ± 0.0006 Å
b	32.023 ± 0.003 Å
c	11.887 ± 0.0009 Å
α	90°
β	90.344 ± 0.003°
γ	90°
Cell volume	3562.5 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0786
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0839
Weighted residual factors for all reflections included in the refinement	0.1125
Goodness-of-fit parameter for all reflections included in the refinement	1.305
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
292998 (current)	2024-07-05	cif/ Updating files of 7716197, 7716198, 7716199, 7716200 Original log message: Adding full bibliography for 7716197--7716200.cif.	7716200.cif
292080	2024-05-29	cif/ Adding structures of 7716197, 7716198, 7716199, 7716200 via cif-deposit CGI script.	7716200.cif