Crystallography Open Database

Information card for entry 4124282

Preview

Coordinates	4124282.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H45 N3 O Pd
Calculated formula	C40 H45 N3 O Pd
SMILES	[Pd]1(=C2N(C=C3C=Cc4ccc(c(c4N23)O1)c1c(cc(cc1C)C)C)c1c(cccc1C(C)C)C(C)C)(C)[n]1c(cccc1C)C
Title of publication	Copolymerization of Propylene and Polar Monomers Using Pd/IzQO Catalysts.
Authors of publication	Nakano, Ryo; Nozaki, Kyoko
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	34
Pages of publication	10934 - 10937
a	13.752 ± 0.003 Å
b	7.988 ± 0.0017 Å
c	31.023 ± 0.007 Å
α	90°
β	91.439 ± 0.003°
γ	90°
Cell volume	3406.8 ± 1.3 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 ± 2 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 all reflections	0.047
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0799
Weighted residual factors for all reflections included in the refinement	0.083
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
154647 (current)	2015-09-06	cif/ Updating files of 4124282, 4124283 Original log message: Adding full bibliography for 4124282--4124283.cif.	4124282.cif
153527	2015-08-20	cif/ Adding structures of 4124282 via cif-deposit CGI script.	4124282.cif