Crystallography Open Database

Information card for entry 7120966

7120965 << 7120966 >> 7120967

Preview

Coordinates	7120966.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C107 H95 Cl25 N4 O2 Pd2
Calculated formula	C107 H95 Cl25 N4 O2 Pd2
Title of publication	Alternating ring-opening metathesis polymerization by Grubbs-type catalysts with N-pentiptycenyl, N-alkyl-NHC ligands.
Authors of publication	Vasiuta, Roman; Stockert, Alexander; Plenio, Herbert
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	14
Pages of publication	1706 - 1709
a	20.571 ± 0.001 Å
b	23.494 ± 0.001 Å
c	24.097 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	11646 ± 0.9 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1011
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.102
Weighted residual factors for all reflections included in the refinement	0.119
Goodness-of-fit parameter for all reflections included in the refinement	0.981
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
228389 (current)	2019-11-17	cif/ Updating files of 7120966 Original log message: Adding full bibliography for 7120966.cif.	7120966.cif
204095	2017-12-09	cif/ Adding structures of 7120966 via cif-deposit CGI script.	7120966.cif