Crystallography Open Database

Information card for entry 4060223

Preview

Coordinates	4060223.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H52 B20 P2 Pt Si2
Calculated formula	C32 H52 B20 P2 Pt Si2
SMILES	[Pt]12([P]([C]3456[C]789([Si]1(C)C)[BH]1%103[BH]3%117[BH]7%128[BH]849[BH]49%12[BH]%12%117[BH]7%103[BH]351[BH]684[BH]9%1273)(c1ccccc1)c1ccccc1)[P]([C]1345[C]678([Si]2(C)C)[BH]291[BH]1%106[BH]6%117[BH]738[BH]38%11[BH]%11%106[BH]691[BH]142[BH]573[BH]8%1161)(c1ccccc1)c1ccccc1
Title of publication	Synthesis, Structure, and DFT Calculation of (Phosphino-o-carboranyl)silyl Group 10 Metal Complexes: Formation of Stable trans-Bis(P,Si-chelate)metal Complexes
Authors of publication	Young-Joo Lee; Jong-Dae Lee; Sung-Joon Kim; Samrok Keum; Jaejung Ko; Il-Hwan Suh; Minserk Cheong; Sang Ook Kang
Journal of publication	Organometallics
Year of publication	2004
Journal volume	23
Pages of publication	203 - 214
a	11.8496 ± 0.0008 Å
b	15.6864 ± 0.0016 Å
c	23.4039 ± 0.0014 Å
α	90°
β	93.792 ± 0.005°
γ	90°
Cell volume	4340.7 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0561
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0635
Weighted residual factors for all reflections included in the refinement	0.0699
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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