Crystallography Open Database

Information card for entry 4124283

Preview

Coordinates	4124283.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H52 N4 O2 Pd2
Calculated formula	C48 H52 N4 O2 Pd2
SMILES	C[Pd]12=C3N(C=C4C=Cc5cccc([O]1[Pd]1(C)=C6N(C=C7C=Cc8cccc([O]21)c8N67)c1c(cccc1C(C)C)C(C)C)c5N34)c1c(cccc1C(C)C)C(C)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	24.908 ± 0.013 Å
b	8.305 ± 0.004 Å
c	19.609 ± 0.01 Å
α	90°
β	99.767 ± 0.008°
γ	90°
Cell volume	3998 ± 3 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0474
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.0919
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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.	4124283.cif
153528	2015-08-20	cif/ Adding structures of 4124283 via cif-deposit CGI script.	4124283.cif