Crystallography Open Database

Information card for entry 1556309

Preview

Coordinates	1556309.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H26 Cl O3 P Pd
Calculated formula	C19 H26 Cl O3 P Pd
SMILES	[Pd]12(Cl)([P]3([C@]4(O[C@]5(C[C@@]3(O[C@@](C4)(O5)C)C)C)C)c3ccccc3)[CH2]=[CH]1C2.[Pd]12(Cl)([P]3([C@@]4(O[C@@]5(C[C@]3(O[C@](C4)(O5)C)C)C)C)c3ccccc3)[CH2]=[CH]1C2
Title of publication	Application of palladium (trioxo-adamantyl cage phosphine)chloride complexes as catalysts for the alkoxycarbonylation of styrene; Pd catalysed tert-butoxycarbonylation of styrene
Authors of publication	Fuentes, José A.; Slawin, Alexandra M. Z.; Clarke, Matthew L.
Journal of publication	Catalysis Science & Technology
Year of publication	2012
Journal volume	2
Journal issue	4
Pages of publication	715
a	7.8175 ± 0.0016 Å
b	16.296 ± 0.003 Å
c	16.654 ± 0.003 Å
α	100.4 ± 0.03°
β	100.58 ± 0.03°
γ	102.97 ± 0.03°
Cell volume	1977.2 ± 0.8 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 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	0.0798
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1431
Weighted residual factors for all reflections included in the refinement	0.1561
Goodness-of-fit parameter for all reflections included in the refinement	1.164
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
244206 (current)	2019-11-28	cif/ Adding structures of 1556309, 1556310 via cif-deposit CGI script.	1556309.cif