Crystallography Open Database

Information card for entry 7707976

Preview

Coordinates	7707976.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tBuPONNOP2Ag2BArF42
Formula	C112 H104 Ag2 B2 F48 N4 O4 P4
Calculated formula	C112 H104 Ag2 B2 F48 N4 O4 P4
Title of publication	Synthesis of an expanded pincer ligand and its bimetallic coinage metal complexes.
Authors of publication	Delaney, Andie R.; Yu, Li-Juan; Coote, Michelle L.; Colebatch, Annie L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	34
Pages of publication	11909 - 11917
a	16.8129 ± 0.001 Å
b	20.1783 ± 0.0013 Å
c	21.3753 ± 0.0014 Å
α	74.616 ± 0.006°
β	70.234 ± 0.006°
γ	66.202 ± 0.006°
Cell volume	6173.9 ± 0.8 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0775
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1164
Weighted residual factors for all reflections included in the refinement	0.1384
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
268807 (current)	2021-09-06	cif/ Updating files of 7707971, 7707972, 7707973, 7707974, 7707975, 7707976 Original log message: Adding full bibliography for 7707971--7707976.cif.	7707976.cif
267981	2021-08-07	cif/ Adding structures of 7707971, 7707972, 7707973, 7707974, 7707975, 7707976 via cif-deposit CGI script.	7707976.cif