Crystallography Open Database

Information card for entry 4074859

Preview

Coordinates	4074859.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H31 N Ni P2
Calculated formula	C37 H28 N Ni P2
SMILES	c12c(cccc2)[P](c2ccccc2)(c2ccccc2)[Ni]2(N1c1ccccc1[P]2(c1ccccc1)c1ccccc1)C
Title of publication	Amido Pincer Complexes of Nickel(II): Synthesis, Structure, and Reactivity
Authors of publication	Liang, Lan-Chang; Chien, Pin-Shu; Lin, Jia-Ming; Huang, Mei-Hui; Huang, Yu-Lun; Liao, Ju-Hsiou
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	6
Pages of publication	1399 - 1411
a	9.878 ± 0.0003 Å
b	18.387 ± 0.0005 Å
c	32.692 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	5937.7 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F 2 d d
Hall space group symbol	F -2d 2
Residual factor for all reflections	0.0584
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1429
Weighted residual factors for all reflections included in the refinement	0.1539
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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