Crystallography Open Database

Information card for entry 7045646

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Coordinates	7045646.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H53 Al Cl2 Ni P4
Calculated formula	C54 H53 Al Cl2 Ni P4
Title of publication	Carbodiphosphorane-based nickel pincer complexes and their (de)protonated analogues: dimerisation, ligand tautomers and proton affinities.
Authors of publication	Maser, Leon; Herritsch, Jan; Langer, Robert
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	31
Pages of publication	10544 - 10552
a	13.3928 ± 0.0006 Å
b	20.9075 ± 0.001 Å
c	18.7057 ± 0.0011 Å
α	90°
β	108.489 ± 0.001°
γ	90°
Cell volume	4967.4 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0466
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0741
Weighted residual factors for all reflections included in the refinement	0.0779
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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