Crystallography Open Database

Information card for entry 1558272

Preview

Coordinates	1558272.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31.51 H58.93 N2 O4 Zr
Calculated formula	C31.522 H58.94 N2 O4 Zr
Title of publication	Redox-switchable ring-opening polymerization by tridentate ONN-type titanium and zirconium catalysts
Authors of publication	Doerr, Alicia M.; Burroughs, Justin M.; Legaux, Nicholas M.; Long, Brian K.
Journal of publication	Catalysis Science & Technology
Year of publication	2020
Journal volume	10
Journal issue	19
Pages of publication	6501 - 6510
a	9.0808 ± 0.0008 Å
b	9.9464 ± 0.0008 Å
c	21.5037 ± 0.0018 Å
α	93.147 ± 0.003°
β	91.175 ± 0.003°
γ	115.995 ± 0.002°
Cell volume	1741 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.055
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1051
Weighted residual factors for all reflections included in the refinement	0.1102
Goodness-of-fit parameter for all reflections included in the refinement	0.918
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
258777 (current)	2020-11-06	cif/ Updating files of 1558270, 1558271, 1558272, 1558273 Original log message: Adding full bibliography for 1558270--1558273.cif.	1558272.cif
253048	2020-06-10	cif/ Adding structures of 1558270, 1558271, 1558272, 1558273 via cif-deposit CGI script.	1558272.cif