Crystallography Open Database

Information card for entry 7707972

Preview

Coordinates	7707972.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tBuPONNOP
Formula	C24 H40 N2 O2 P2
Calculated formula	C24 H40 N2 O2 P2
SMILES	P(Oc1nc2nc(OP(C(C)(C)C)C(C)(C)C)ccc2cc1)(C(C)(C)C)C(C)(C)C
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	6.319 ± 0.0007 Å
b	14.4208 ± 0.0018 Å
c	15.1492 ± 0.0015 Å
α	83.368 ± 0.009°
β	87.909 ± 0.008°
γ	77.724 ± 0.01°
Cell volume	1339.8 ± 0.3 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0971
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1776
Weighted residual factors for all reflections included in the refinement	0.1889
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7707972.cif
267981	2021-08-07	cif/ Adding structures of 7707971, 7707972, 7707973, 7707974, 7707975, 7707976 via cif-deposit CGI script.	7707972.cif