Crystallography Open Database

Information card for entry 1572143

Preview

Coordinates	1572143.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H78 Cl2 Ge N6 O1.5 P2
Calculated formula	C50 H77.9985 Cl2 Ge N6 O1.5 P2
Title of publication	Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes.
Authors of publication	Kreimer, Lisa N.; Hadlington, Terrance J.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	35
Pages of publication	14154 - 14160
a	17.37 ± 0.004 Å
b	18.92 ± 0.004 Å
c	33.75 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	11092 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.1609
Residual factor for significantly intense reflections	0.0792
Weighted residual factors for significantly intense reflections	0.2137
Weighted residual factors for all reflections included in the refinement	0.2622
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
295190 (current)	2024-10-06	cif/ Updating files of 1572143, 1572144, 1572145, 1572146, 1572147, 1572148, 1572149, 1572150 Original log message: Adding full bibliography for 1572143--1572150.cif.	1572143.cif
293460	2024-07-19	cif/ Adding structures of 1572143, 1572144, 1572145, 1572146, 1572147, 1572148, 1572149, 1572150 via cif-deposit CGI script.	1572143.cif