Crystallography Open Database

Information card for entry 4084989

Preview

Coordinates	4084989.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27.5 H37 B Cl F4 N Pd Si
Calculated formula	C27.5 H37 B Cl F4 N Pd Si
Title of publication	Structural Consequences of an Extreme Difference between theTransInfluence of the Donor Atoms in a Palladacycle
Authors of publication	Koller, Stephan G.; Martín-Romo, Raquel; Melero, José S.; Colquhoun, Victoria P.; Schildbach, Daniel; Strohmann, Carsten; Villafañe, Fernando
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	24
Pages of publication	7329
a	31.555 ± 0.003 Å
b	9.4599 ± 0.0009 Å
c	20.025 ± 0.002 Å
α	90°
β	109.502 ± 0.002°
γ	90°
Cell volume	5634.7 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0511
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.1051
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4084989.cif
131469	2015-02-07	cif/ Updating files of 4084989, 4084990, 4084991 Original log message: Adding full bibliography for 4084989--4084991.cif.	4084989.cif
128455	2014-12-07	cif/ Adding structures of 4084989, 4084990, 4084991 via cif-deposit CGI script.	4084989.cif