Crystallography Open Database

Information card for entry 7028240

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Coordinates	7028240.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H58 O10 P2
Calculated formula	C54 H58 O10 P2
Title of publication	Coulomb repulsion versus cycloaddition: formation of anionic four-membered rings from sodium phosphaethynolate, Na(OCP).
Authors of publication	Heift, Dominikus; Benkő, Zoltán; Grützmacher, Hansjörg
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	2
Pages of publication	831 - 840
a	11.2018 ± 0.0006 Å
b	11.2296 ± 0.0006 Å
c	11.4596 ± 0.0006 Å
α	118.377 ± 0.006°
β	107.308 ± 0.005°
γ	93.323 ± 0.004°
Cell volume	1176.28 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0755
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.1592
Weighted residual factors for all reflections included in the refinement	0.1774
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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