Crystallography Open Database

Information card for entry 4071681

Preview

Coordinates	4071681.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H30 N8 Na2
Calculated formula	C44 H30 N8 Na2
SMILES	[Na]123([n]4cccc5Cc6ccc[n]1c6c45)[n]1cccc4=CC5=CC=C[N]2([Na]26([n]7cccc8Cc9ccc[n]2c9c78)[n]2cccc7=CC8=CC=C[N]36C8=c27)C5=c14
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	14.418 ± 0.0006 Å
b	15.3044 ± 0.0007 Å
c	16.7139 ± 0.0008 Å
α	90°
β	109.206 ± 0.002°
γ	90°
Cell volume	3482.8 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1307
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1139
Weighted residual factors for all reflections included in the refinement	0.149
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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.	4071681.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071681.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071681.cif
43978	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071681, 4071682, 4071683 via cif-deposit CGI script.	4071681.cif