Crystallography Open Database

Information card for entry 1573296

Preview

Coordinates	1573296.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H16 Cl2 F24 P2 Pt
Calculated formula	C42 H16 Cl2 F24 P2 Pt
Title of publication	Pronounced electronic modulation of geometrically-regulated metalloenediyne cyclization.
Authors of publication	Lindahl, Sarah E.; Metzger, Erin M.; Chen, Chun-Hsing; Pink, Maren; Zaleski, Jeffrey M.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	16
Journal issue	1
Pages of publication	255 - 279
a	12.3782 ± 0.001 Å
b	21.2832 ± 0.0016 Å
c	17.4143 ± 0.0015 Å
α	90°
β	90.947 ± 0.004°
γ	90°
Cell volume	4587.1 ± 0.6 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
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	0.0339
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for all reflections	0.0723
Weighted residual factors for significantly intense reflections	0.0694
Weighted residual factors for all reflections included in the refinement	0.0723
Goodness-of-fit parameter for all reflections included in the refinement	1.0357
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/1573296.html