Crystallography Open Database

Information card for entry 1568374

Preview

Coordinates	1568374.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H22 Br2 N2 O2 Pd
Calculated formula	C17 H22 Br2 N2 O2 Pd
SMILES	c1cc2C(=O)[C]3(Br)[Pd]4([N](C)(C)CCC[N]4(C)C)[C]=3(C(=O)c2cc1)Br
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	12.3508 ± 0.0005 Å
b	14.1078 ± 0.0005 Å
c	10.6617 ± 0.0005 Å
α	90°
β	101.286 ± 0.004°
γ	90°
Cell volume	1821.8 ± 0.13 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0483
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0898
Weighted residual factors for all reflections included in the refinement	0.0942
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
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
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.	1568374.cif
280687	2023-01-31	cif/ Adding structures of 1568372, 1568373, 1568374, 1568375, 1568376, 1568377, 1568378 via cif-deposit CGI script.	1568374.cif