Crystallography Open Database

Information card for entry 4301769

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Coordinates	4301769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H42 Ni P2
Calculated formula	C23 H42 Ni P2
SMILES	[Ni]12([P](CCC2CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)c1ccccc1
Title of publication	New Derivatives of PCP-Type Pincer Complexes of Nickel
Authors of publication	Annie Castonguay; André L. Beauchamp; Davit Zargarian
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	3177 - 3184
a	10.1898 ± 0.0009 Å
b	12.5298 ± 0.0012 Å
c	19.3011 ± 0.0016 Å
α	90°
β	97.936 ± 0.004°
γ	90°
Cell volume	2440.7 ± 0.4 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	4
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	0.0549
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1264
Weighted residual factors for all reflections included in the refinement	0.1317
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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