Crystallography Open Database

Information card for entry 7002522

Preview

Structure parameters

Formula	C39 H54 Cl N O4 Ti
Calculated formula	C39 H54 Cl N O4 Ti
Title of publication	Novel Ti(iv) and Zr(iv) complexes and their application in the ring-opening polymerisation of cyclic esters
Authors of publication	Whitelaw, Emma L.; Jones, Matthew D.; Mahon, Mary F.; Kociok-Kohn, Gabriele
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	41
Pages of publication	9020 - 9025
a	11.057 ± 0.0004 Å
b	12.015 ± 0.0005 Å
c	16.419 ± 0.0005 Å
α	75.615 ± 0.002°
β	89.264 ± 0.002°
γ	62.851 ± 0.002°
Cell volume	1867.26 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0857
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1366
Weighted residual factors for all reflections included in the refinement	0.1571
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7002522.html