Crystallography Open Database

Information card for entry 7718925

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Coordinates	7718925.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H56 B20 N2 P2 S
Calculated formula	C33 H48 B20 N2 P2 S
Title of publication	Carboranyl diphosphenes: synthesis, structure and reactivity.
Authors of publication	Chan, Tek Long; Zhang, Jie; Xie, Zuowei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	28
Pages of publication	10946 - 10955
a	9.535 ± 0.0002 Å
b	14.5878 ± 0.0003 Å
c	17.7561 ± 0.0004 Å
α	83.8589 ± 0.0011°
β	78.2411 ± 0.001°
γ	72.801 ± 0.001°
Cell volume	2306.94 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.078
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.1764
Weighted residual factors for all reflections included in the refinement	0.2043
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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