Crystallography Open Database

Information card for entry 4060221

Preview

Coordinates	4060221.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H44 B20 P2 Pt Si2
Calculated formula	C20 H44 B20 P2 Pt Si2
SMILES	C[P]1(C)[Pt]2([P]([C]3456[BH]789[BH]%10%113[BH]3%124[BH]4%135[C]569([BH]697[BH]78%10[BH]8%113[BH]3%124[BH]%1356[BH]9783)[Si]2(C)C)(C)C)[Si]([C]2345[BH]678[BH]9%10%11[BH]%12%13%14[BH]%152([C]148%11%13)[BH]12%14[BH]4%10%12[BH]879[BH]736[BH]5%151[BH]2487)(C)C.c1cc(C)ccc1C
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	8.6548 ± 0.0003 Å
b	11.0158 ± 0.0008 Å
c	11.0685 ± 0.0007 Å
α	104.516 ± 0.005°
β	106.106 ± 0.004°
γ	98.033 ± 0.004°
Cell volume	956.32 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0309
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for all reflections	0.0732
Weighted residual factors for significantly intense reflections	0.0722
Goodness-of-fit parameter for all reflections	1.078
Goodness-of-fit parameter for significantly intense reflections	1.071
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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