Crystallography Open Database

Information card for entry 1568378

Preview

Coordinates	1568378.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H51 Cl2 O4 P2 Pd
Calculated formula	C63 H51 Cl2 O4 P2 Pd
Title of publication	Initiating abilities of diphosphine- and diamine-ligated Pd complexes/NaBPh4 systems for C1 polymerization of diazoacetates
Authors of publication	Shimomoto, Hiroaki; Miyano, Yuto; Kinoshita, Kaito; Itoh, Tomomichi; Ihara, Eiji
Journal of publication	Polymer Chemistry
Year of publication	2023
Journal volume	14
Journal issue	9
Pages of publication	1007 - 1018
a	20.2129 ± 0.0009 Å
b	13.654 ± 0.0004 Å
c	20.7338 ± 0.0008 Å
α	90°
β	116.67 ± 0.005°
γ	90°
Cell volume	5113.4 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
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	0.0772
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1087
Weighted residual factors for all reflections included in the refinement	0.1187
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
281612 (current)	2023-03-04	cif/ Updating files of 1568372, 1568373, 1568374, 1568375, 1568376, 1568377, 1568378 Original log message: Adding full bibliography for 1568372--1568378.cif.	1568378.cif
280687	2023-01-31	cif/ Adding structures of 1568372, 1568373, 1568374, 1568375, 1568376, 1568377, 1568378 via cif-deposit CGI script.	1568378.cif