Crystallography Open Database

Information card for entry 7711931

7711930 << 7711931 >> 7711932

Preview

Coordinates	7711931.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[{κP,κC-(i-Pr)2PO-C6H4}{κN-Et2NOH}NiBr]
Formula	C16 H29 Br N Ni O2 P
Calculated formula	C16 H29 Br N Ni O2 P
SMILES	Br[Ni]1([P](Oc2ccccc12)(C(C)C)C(C)C)[O]=N(CC)CC
Title of publication	Reactivities of cyclonickellated complexes with hydroxylamines: formation of κ<sup>O</sup>-hydroxylamine and κ<sup>N</sup>-imine adducts and a κ<sup>O</sup>, κ<sup>N</sup>-aminoxide derivative.
Authors of publication	Sarker, Rajib K.; Mangin, Loïc P; Zargarian, Davit
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	2
Pages of publication	366 - 375
a	10.312 ± 0.003 Å
b	11.182 ± 0.003 Å
c	16.878 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1946.2 ± 1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0168
Residual factor for significantly intense reflections	0.0168
Weighted residual factors for significantly intense reflections	0.0436
Weighted residual factors for all reflections included in the refinement	0.0436
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283290 (current)	2023-05-05	cif/ Updating files of 7711929, 7711930, 7711931, 7711932, 7711933, 7711934, 7711935, 7711936, 7711937, 7711938, 7711939 Original log message: Adding full bibliography for 7711929--7711939.cif.	7711931.cif
279895	2022-12-15	cif/ Adding structures of 7711929, 7711930, 7711931, 7711932, 7711933, 7711934, 7711935, 7711936, 7711937, 7711938, 7711939 via cif-deposit CGI script.	7711931.cif