Crystallography Open Database

Information card for entry 7711939

7711938 << 7711939 >> 7711940

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Coordinates	7711939.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H47 Br N2 Ni O2 P2
Calculated formula	C28 H47 Br N2 Ni O2 P2
SMILES	Br[Ni]1([P](Oc2c1ccc(N(C)C)c2)(C(C)C)C(C)C)[P](Oc1cccc(N(C)C)c1)(C(C)C)C(C)C
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	8.6766 ± 0.0003 Å
b	10.8198 ± 0.0004 Å
c	16.2208 ± 0.0006 Å
α	91.236 ± 0.001°
β	93.385 ± 0.002°
γ	90.311 ± 0.002°
Cell volume	1519.75 ± 0.1 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0269
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0695
Weighted residual factors for all reflections included in the refinement	0.0706
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
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.	7711939.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.	7711939.cif