Crystallography Open Database

Information card for entry 7714671

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Coordinates	7714671.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	diphosphene
Formula	C45 H64 B P3
Calculated formula	C45 H64 B P3
Title of publication	Diphosphene with a phosphineborane tether and its rhodium complex.
Authors of publication	Tsurusaki, Akihiro; Takechi, Shingo; Kamikawa, Ken
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	7
Pages of publication	2929 - 2936
a	9.875 ± 0.004 Å
b	12.159 ± 0.004 Å
c	19.275 ± 0.007 Å
α	102.317 ± 0.004°
β	101.497 ± 0.004°
γ	100.446 ± 0.0013°
Cell volume	2154.3 ± 1.4 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.0614
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1104
Weighted residual factors for all reflections included in the refinement	0.1197
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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