Crystallography Open Database

Information card for entry 4304049

Preview

Coordinates	4304049.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 Br P3
Calculated formula	C26 H24 Br P3
SMILES	P1(=P[P+](CC1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Title of publication	A Convenient Preparative Method for Cyclic Triphosphenium Bromide and Chloride Salts
Authors of publication	Erin L. Norton; Kara L. S. Szekely; Jonathan W. Dube; Paolo G. Bomben; Charles L. B. Macdonald
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	1196 - 1203
a	9.8923 ± 0.0017 Å
b	13.499 ± 0.002 Å
c	19.672 ± 0.004 Å
α	71.401 ± 0.002°
β	79.61 ± 0.002°
γ	69.134 ± 0.002°
Cell volume	2319.8 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0496
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.0943
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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