Crystallography Open Database

Information card for entry 7707153

Preview

Coordinates	7707153.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70.5 H85 N2 Si Zr
Calculated formula	C64 H74 N2 Si Zr
Title of publication	Multisubstituted <i>C</i><sub>2</sub>-symmetric <i>ansa</i>-metallocenes bearing nitrogen heterocycles: influence of substituents on catalytic properties in propylene polymerization at higher temperatures.
Authors of publication	Kulyabin, Pavel S.; Izmer, Vyatcheslav V.; Goryunov, Georgy P.; Sharikov, Mikhail I.; Kononovich, Dmitry S.; Uborsky, Dmitry V.; Canich, Jo Ann M.; Voskoboynikov, Alexander Z.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	18
Pages of publication	6170 - 6180
a	13.9493 ± 0.0006 Å
b	24.3226 ± 0.001 Å
c	19.1054 ± 0.0008 Å
α	90°
β	109.861 ± 0.001°
γ	90°
Cell volume	6096.6 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
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	0.076
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1018
Weighted residual factors for all reflections included in the refinement	0.115
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
266091 (current)	2021-06-05	cif/ Updating files of 7707148, 7707149, 7707150, 7707151, 7707152, 7707153 Original log message: Adding full bibliography for 7707148--7707153.cif.	7707153.cif
264327	2021-04-20	cif/ Adding structures of 7707148, 7707149, 7707150, 7707151, 7707152, 7707153 via cif-deposit CGI script.	7707153.cif