Crystallography Open Database

Information card for entry 7037443

Preview

Coordinates	7037443.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H28 Cl O2 P Pd
Calculated formula	C36 H28 Cl O2 P Pd
SMILES	[Pd]12(Cl)([P]3(Oc4c(c5c(O3)cccc5)cccc4)c3c(c4cccc5ccccc45)c4ccccc4cc3)[C](=[CH2]1)(C2)C
Title of publication	The design of second generation MOP-phosphonites: efficient chiral hydrosilylation of functionalised styrenes.
Authors of publication	Fleming, James T.; Ficks, Arne; Waddell, Paul G.; Harrington, Ross W.; Higham, Lee J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	5
Pages of publication	1886 - 1890
a	10.0618 ± 0.0003 Å
b	14.4757 ± 0.0004 Å
c	25.0065 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3642.2 ± 0.2 Å³
Cell temperature	150 ± 0.2 K
Ambient diffraction temperature	150 ± 0.2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0709
Weighted residual factors for all reflections included in the refinement	0.0737
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
176099 (current)	2016-02-05	cif/ Updating files of 7037441, 7037442, 7037443, 7037444 Original log message: Adding full bibliography for 7037441--7037444.cif.	7037443.cif
170532	2015-11-25	cif/ Adding structures of 7037441, 7037442, 7037443, 7037444 via cif-deposit CGI script.	7037443.cif