Crystallography Open Database

Information card for entry 7031735

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Coordinates	7031735.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H62 Ni O0.5 P2
Calculated formula	C34 H62 Ni O0.5 P2
Title of publication	Nickelalactones with an allyl subunit - the effect of penta-coordination on structures and stability.
Authors of publication	Freund, Robert R. A.; Görls, Helmar; Langer, Jens
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	37
Pages of publication	13988 - 14000
a	10.581 ± 0.0002 Å
b	12.304 ± 0.0002 Å
c	13.7385 ± 0.0002 Å
α	97.923 ± 0.001°
β	106.776 ± 0.001°
γ	101.793 ± 0.001°
Cell volume	1638.94 ± 0.05 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.065
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.1799
Weighted residual factors for all reflections included in the refinement	0.1873
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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