Crystallography Open Database

Information card for entry 4020729

4020728 << 4020729 >> 4020730

Preview

Coordinates	4020729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H156 B20 O8 P8 Pt4
Calculated formula	C84 H156 B20 O8 P8 Pt4
SMILES	[BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%151[BH]1%16%12[BH]%129%11[BH]958[C]547([BH]2%141[BH]%16%1295)C(=O)O[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)c1ccc2ccc4ccc(cc4c2c1)[Pt](OC(=O)[C]1245[BH]789[BH]%11%121[BH]1%142[BH]2%164[BH]457[BH]57%16[BH]%16%142[BH]2%111[C]19%12([BH]845[BH]7%1621)C(=O)O[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)c1cc2c4cc(ccc4ccc2cc1)[Pt](OC(=O)[C]36%10%13%15)([P](CC)(CC)CC)[P](CC)(CC)CC)([P](CC)(CC)CC)[P](CC)(CC)CC
Title of publication	Synthesis and Structural Characterization of Carborane-Containing Neutral, Self-Assembled Pt-Metallacycles
Authors of publication	Neeladri Das; Peter J. Stang; Atta M. Arif; Charles F. Campana
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	10440 - 10446
a	14.0198 ± 0.0006 Å
b	15.82 ± 0.0007 Å
c	16.3241 ± 0.0005 Å
α	90.049 ± 0.002°
β	114.665 ± 0.002°
γ	114.321 ± 0.0015°
Cell volume	2932.3 ± 0.2 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	6
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

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4020729.html