Crystallography Open Database

Information card for entry 1562357

Preview

Coordinates	1562357.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H51 Cl N2 Pd
Calculated formula	C59 H51 Cl N2 Pd
Title of publication	Suppression of chain transfer via a restricted rotation effect of dibenzosuberyl substituents in polymerization catalysis
Authors of publication	Dai, Shengyu; Li, Gen; Lu, Weiqing; Liao, Yudan; Fan, Weigang
Journal of publication	Polymer Chemistry
Year of publication	2021
Journal volume	12
Journal issue	22
Pages of publication	3240 - 3249
a	15.86 ± 0.0016 Å
b	16.3701 ± 0.0017 Å
c	18.8102 ± 0.0019 Å
α	90°
β	106.03 ± 0.004°
γ	90°
Cell volume	4693.8 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.2442
Residual factor for significantly intense reflections	0.1034
Weighted residual factors for significantly intense reflections	0.1724
Weighted residual factors for all reflections included in the refinement	0.2036
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
267253 (current)	2021-07-05	cif/ Updating files of 1562355, 1562356, 1562357, 1562358 Original log message: Adding full bibliography for 1562355--1562358.cif.	1562357.cif
264829	2021-05-04	cif/ Adding structures of 1562355, 1562356, 1562357, 1562358 via cif-deposit CGI script.	1562357.cif