Crystallography Open Database

Information card for entry 7100791

Preview

Coordinates	7100791.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H64 B16 P4 Pd2
Calculated formula	C32 H64 B16 P4 Pd2
SMILES	[BH]1234[BH]567[BH]891[BH]1%102[BH]2%119[BH]78([Pd]7896([BH]6%12%13[BH]%14%15%16[BH]%17%186[BH]6%16([BH]%16%15([BH]7%12%14[H]%16)[H]6)[BH]%17([BH]8%13%18[H]9)[P](C)(C)c6ccccc6)[B]635([H][BH]4%106[Pd]1%11([P](C)(C)c1ccccc1)[P](C)(C)c1ccccc1)[P](C)(C)c1ccccc1)[H]2
Title of publication	Macropolyhedral boron-containing cluster chemistry. Synchrotron X-ray structural analysis of [(PMe2Ph)2Pd2B16H20(PMe2Ph)2] and [(PMe2Ph)3Pt2B16H18(PMe2Ph)]: Models of intermediates to more condensed metallaboranes from the [(PMe2Ph)2PtB8H12] thermolysis system.
Authors of publication	John D. Kennedy; Michael G. S. Londesborough; Elizabeth J. MacLean; S. J. Teat; Mark Thornton-Pett
Journal of publication	Chemical Communications
Year of publication	2005
a	9.5388 ± 0.0004 Å
b	30.059 ± 0.0014 Å
c	33.0514 ± 0.0015 Å
α	84.051 ± 0.002°
β	83.669 ± 0.002°
γ	81.165 ± 0.002°
Cell volume	9270.8 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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