Crystallography Open Database

Information card for entry 1550145

Preview

Coordinates	1550145.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H40 N2 O2 Pd
Calculated formula	C49 H40 N2 O2 Pd
SMILES	[Pd]1(N(C2C(=[O]1)c1c(C(=O)C=2)cccc1)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)([n]1ccccc1)C
Title of publication	Efficient ethylene copolymerization with polar monomers using palladium anilinonaphthoquinone catalysts
Authors of publication	Ding, Lin; Cheng, Hailong; Li, Yanqing; Tanaka, Ryo; Shiono, Takeshi; Cai, Zhengguo
Journal of publication	Polymer Chemistry
Year of publication	2018
Journal volume	9
Journal issue	45
Pages of publication	5476
a	10.4912 ± 0.0004 Å
b	13.4734 ± 0.0006 Å
c	14.7253 ± 0.0006 Å
α	94.369 ± 0.002°
β	109.58 ± 0.002°
γ	90.382 ± 0.002°
Cell volume	1954.24 ± 0.14 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300.11 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0657
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1181
Weighted residual factors for all reflections included in the refinement	0.1233
Goodness-of-fit parameter for all reflections included in the refinement	1.142
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
230971 (current)	2019-11-17	cif/ Updating files of 1550143, 1550144, 1550145 Original log message: Adding full bibliography for 1550143--1550145.cif.	1550145.cif
211702	2018-10-30	cif/ Adding structures of 1550143, 1550144, 1550145 via cif-deposit CGI script.	1550145.cif