Crystallography Open Database

Information card for entry 7707971

Preview

Coordinates	7707971.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tBuPONNOPCu2Cl2
Formula	C24 H40 Cl2 Cu2 N2 O2 P2
Calculated formula	C24 H40 Cl2 Cu2 N2 O2 P2
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	13.1203 ± 0.0003 Å
b	13.1203 ± 0.0003 Å
c	8.6767 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1493.63 ± 0.08 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	7
Space group number	113
Hermann-Mauguin space group symbol	P -4 21 m
Hall space group symbol	P -4 2ab
Residual factor for all reflections	0.0309
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0529
Weighted residual factors for all reflections included in the refinement	0.0554
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation probe	x-ray
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
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.	7707971.cif
267981	2021-08-07	cif/ Adding structures of 7707971, 7707972, 7707973, 7707974, 7707975, 7707976 via cif-deposit CGI script.	7707971.cif