Crystallography Open Database

Information card for entry 7035006

Preview

Coordinates	7035006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H33 Cl2 N3 Pd
Calculated formula	C38 H33 Cl2 N3 Pd
SMILES	[Pd](Cl)(Cl)([n]1ccccc1)=C1N(C=CN1C1(c2ccccc2c2ccccc12)CC)C1(c2ccccc2c2ccccc12)CC
Title of publication	N-Alkylfluorenyl-substituted N-heterocyclic carbenes as bimodal pincers.
Authors of publication	Teci, Matthieu; Brenner, Eric; Matt, Dominique; Gourlaouen, Christophe; Toupet, Loïc
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	19
Pages of publication	9260 - 9268
a	11.6469 ± 0.0002 Å
b	13.7077 ± 0.0002 Å
c	20.4229 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3260.56 ± 0.09 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
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	0.0289
Residual factor for significantly intense reflections	0.0244
Weighted residual factors for significantly intense reflections	0.0517
Weighted residual factors for all reflections included in the refinement	0.0526
Goodness-of-fit parameter for all reflections included in the refinement	0.969
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
138722 (current)	2015-06-07	cif/ Updating files of 7035005, 7035006, 7035007 Original log message: Adding full bibliography for 7035005--7035007.cif.	7035006.cif
135913	2015-05-09	cif/ Adding structures of 7035005, 7035006, 7035007 via cif-deposit CGI script.	7035006.cif