Crystallography Open Database

Information card for entry 4083273

Preview

Coordinates	4083273.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H47 B K O6 P
Calculated formula	C25 H47 B K O6 P
SMILES	[K]12345[O]6CC[O]2CC[O]3CC[O]1CC[O]4CC[O]5CC6.[CH]1=[B](P(C(C)(C)C)C(C)(C)C)[CH]=[CH][CH]=[CH]1
Title of publication	Coordination of a Di-tert-butylphosphidoboratabenzene Ligand to Electronically Unsaturated Group 10 Transition Metals
Authors of publication	Macha, Bret B.; Boudreau, Josée; Maron, Laurent; Maris, Thierry; Fontaine, Frédéric-Georges
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	17
Pages of publication	6428
a	14.692 ± 0.003 Å
b	22.825 ± 0.004 Å
c	9.1192 ± 0.0018 Å
α	90°
β	100.168 ± 0.002°
γ	90°
Cell volume	3010 ± 1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.1065
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.1151
Weighted residual factors for all reflections included in the refinement	0.1394
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
178721 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/32.	4083273.cif
113690	2014-05-13	cif/ Adding structures of 4083273 via cif-deposit CGI script.	4083273.cif