Crystallography Open Database

Information card for entry 4134130

Preview

Coordinates	4134130.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	C75H72BCl8F4N4O3Ru
Formula	C75 H71 B Cl8 F4 N4 O3 Ru
Calculated formula	C75 H71 B Cl8 F4 N4 O3 Ru
Title of publication	A Macrocyclic Ruthenium Carbene for Size-Selective Alkene Metathesis.
Authors of publication	Zhang, Yutong; Diver, Steven T.
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	7
Pages of publication	3371 - 3374
a	26.8848 ± 0.0011 Å
b	18.2115 ± 0.0008 Å
c	28.4594 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	13934.1 ± 1.1 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	8
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0916
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.1789
Weighted residual factors for all reflections included in the refinement	0.1981
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
248710 (current)	2020-03-04	cif/ Updating files of 4134130 Original log message: Adding full bibliography for 4134130.cif.	4134130.cif
247900	2020-02-06	cif/ Adding structures of 4134130 via cif-deposit CGI script.	4134130.cif