Crystallography Open Database

Information card for entry 4074218

Preview

Coordinates	4074218.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H52 B2 N2 P2 Pt V
Calculated formula	C28 H52 B2 N2 P2 Pt V
SMILES	[Pt]1(B([c]23[V]456789%10%11%12([cH]([cH]2%10)[cH]5[cH]3%11)[CH]2=[CH]4[CH]7=[CH]8[CH]6=[CH]%12C92B1N(C)C)N(C)C)([P](CC)(CC)CC)[P](CC)(CC)CC
Title of publication	Facile Syntheses of Trovacene, the Formation of [n]Boratrovacenophanes (n= 1, 2), and Their Reactivity toward [Pt(PEt3)4]
Authors of publication	Braunschweig, Holger; Lutz, Matthias; Radacki, Krzysztof; Schaumlöffel, Anu; Seeler, Fabian; Unkelbach, Christian
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	19
Pages of publication	4433
a	8.5651 ± 0.0001 Å
b	17.6564 ± 0.0003 Å
c	21.235 ± 0.0004 Å
α	90°
β	91.24 ± 0.001°
γ	90°
Cell volume	3210.59 ± 0.09 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0205
Residual factor for significantly intense reflections	0.0197
Weighted residual factors for significantly intense reflections	0.0501
Weighted residual factors for all reflections included in the refinement	0.0505
Goodness-of-fit parameter for all reflections included in the refinement	1.128
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4074218.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074218.cif
48257	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4074217, 4074218, 4074219 via cif-deposit CGI script.	4074218.cif