Crystallography Open Database

Information card for entry 1572146

Preview

Coordinates	1572146.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22.5 H34 N2 Ni0.5 O P
Calculated formula	C22.5 H34 N2 Ni0.5 O P
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	15.304 ± 0.003 Å
b	34.054 ± 0.007 Å
c	9.7484 ± 0.0019 Å
α	90°
β	97.35 ± 0.03°
γ	90°
Cell volume	5038.8 ± 1.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2087
Residual factor for significantly intense reflections	0.0772
Weighted residual factors for significantly intense reflections	0.1869
Weighted residual factors for all reflections included in the refinement	0.2419
Goodness-of-fit parameter for all reflections included in the refinement	0.894
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	1572146.cif
293460	2024-07-19	cif/ Adding structures of 1572143, 1572144, 1572145, 1572146, 1572147, 1572148, 1572149, 1572150 via cif-deposit CGI script.	1572146.cif