Crystallography Open Database

Information card for entry 4066135

Preview

Coordinates	4066135.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H34 K N O
Calculated formula	C32 H34 K N O
SMILES	[K][O]1CCCC1.n1(c2ccc(Cc3c([c-](c(c3C)C)C)C)cc2c2c1cccc2)c1ccccc1
Title of publication	Photofunctionalization of a Pentamethylcyclopentadienyl Ligand with theN-Phenylcarbazolyl Group To Prepare a Highly Luminescent Tb3+Complex Having a Fast Radiation Rate
Authors of publication	Yatabe, Takeshi; Nakai, Hidetaka; Nozaki, Koichi; Yamamura, Tomoo; Isobe, Kiyoshi
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	11
Pages of publication	2390
a	9.1871 ± 0.0014 Å
b	28.378 ± 0.004 Å
c	10.3886 ± 0.0017 Å
α	90°
β	100.365 ± 0.004°
γ	90°
Cell volume	2664.2 ± 0.7 Å³
Cell temperature	123.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.2347
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.7107 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.	4066135.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066135.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066135.cif
33801	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066135, 4066136, 4066137 via cif-deposit CGI script.	4066135.cif