Crystallography Open Database

Information card for entry 7113466

Preview

Coordinates	7113466.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H66 B Cl2 F24 N3 Pd
Calculated formula	C76 H66 B Cl2 F24 N3 Pd
Title of publication	The first Pd^II^ complex of a non-heteroatom stabilised carbene ligand
Authors of publication	Bröring, Martin; Brandt, Carsten D.; Stellwag, Sascha
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	18
Pages of publication	2344 - 2345
a	14.643 ± 0.0004 Å
b	15.2381 ± 0.0005 Å
c	18.371 ± 0.0005 Å
α	88.151 ± 0.002°
β	73.782 ± 0.002°
γ	78.955 ± 0.002°
Cell volume	3862.1 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1194
Residual factor for significantly intense reflections	0.1063
Weighted residual factors for significantly intense reflections	0.2075
Weighted residual factors for all reflections included in the refinement	0.211
Goodness-of-fit parameter for all reflections included in the refinement	1.441
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7104805
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
210465 (current)	2018-09-05	cif/7/ Updating bibliography in entries 7104805, 7113466. Marking entry 7113466 as a duplicate of entry 7104805.	7113466.cif
180248	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/34.	7113466.cif
115079	2014-06-02	cif/ Adding structures of 7113466 via cif-deposit CGI script.	7113466.cif