Crystallography Open Database

Information card for entry 4108653

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Coordinates	4108653.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H72 N4 P2
Calculated formula	C54 H72 N4 P2
Title of publication	Carbene-Stabilized Diphosphorus
Authors of publication	Yuzhong Wang; Yaoming Xie; Pingrong Wei; R. Bruce King; Henry F. Schaefer, III; Paul v. R. Schleyer; Gregory H. Robinson
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	14970 - 14971
a	10.917 ± 0.0016 Å
b	10.9711 ± 0.0016 Å
c	12.649 ± 0.0019 Å
α	96.687 ± 0.002°
β	112.794 ± 0.002°
γ	108.936 ± 0.002°
Cell volume	1269.1 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0848
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1194
Weighted residual factors for all reflections included in the refinement	0.14
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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