Crystallography Open Database

Information card for entry 7721083

Preview

Coordinates	7721083.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H30 Cl2 Si Zr
Calculated formula	C28 H30 Cl2 Si Zr
Title of publication	Cyclopropyl <i>vs.</i> isopropyl in zirconocenes: unexpected catalytic performance in propylene polymerization.
Authors of publication	Samsonov, Oleg V.; Sharikov, Mikhail I.; Urintsev, Danil I.; Kulyabin, Pavel S.; Goryunov, Georgy P.; Uborsky, Dmitry V.; Canich, Jo Ann M.; Voskoboynikov, Alexander Z.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2026
Journal volume	55
Journal issue	20
Pages of publication	7910 - 7917
a	8.7981 ± 0.0005 Å
b	19.7102 ± 0.0012 Å
c	14.1522 ± 0.0009 Å
α	90°
β	91.156 ± 0.001°
γ	90°
Cell volume	2453.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0407
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.0919
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
306212 (current)	2026-06-04	cif/ Adding structures of 7721083, 7721084 via cif-deposit CGI script.	7721083.cif