Crystallography Open Database

Information card for entry 4071682

Preview

Coordinates	4071682.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H48 Cl6 N4 P2 Pd2
Calculated formula	C60 H48 Cl6 N4 P2 Pd2
SMILES	c1ccc2[C@H]3c4cccnc4c2[n]1[Pd]([C@@H]1c2ccc[n]([Pd]3([P](c3ccccc3)(c3ccccc3)c3ccccc3)Cl)c2c2c1cccn2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl.C(Cl)Cl.C(Cl)Cl
Title of publication	Syntheses, Characterizations, and Reactivities of 4,5-Diazafluorenide Complexes of Palladium(II) and Rhodium(I)
Authors of publication	Jiang, Huiling; Song, Datong
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	14
Pages of publication	3587
a	9.9317 ± 0.0006 Å
b	11.7023 ± 0.0006 Å
c	13.2396 ± 0.0008 Å
α	79.655 ± 0.003°
β	87.484 ± 0.003°
γ	65.604 ± 0.003°
Cell volume	1377.8 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0813
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1311
Weighted residual factors for all reflections included in the refinement	0.1488
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
178605 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/16.	4071682.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071682.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071682.cif
43978	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071681, 4071682, 4071683 via cif-deposit CGI script.	4071682.cif