Crystallography Open Database

Information card for entry 1566181

Preview

Coordinates	1566181.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H52 N2 O2 P4
Calculated formula	C36 H52 N2 O2 P4
SMILES	P1(P=C(N(C1=O)c1c(cccc1C(C)C)C(C)C)C(C)(C)C)P1P=C(N(C1=O)c1c(cccc1C(C)C)C(C)C)C(C)(C)C
Title of publication	Anionic 1-Aza-3,4-diphospholides as redox active ligands
Authors of publication	Suter, Riccardo; Gilliard, Robert J.; Iskandarov, Javad; Benkő, Zoltan; Wörle, Michael; Grützmacher, Hansjörg
Journal of publication	Inorganica Chimica Acta
Year of publication	2021
Journal volume	520
Pages of publication	120274
a	13.1651 ± 0.0006 Å
b	8.7775 ± 0.0004 Å
c	31.4231 ± 0.0017 Å
α	90°
β	91.15 ± 0.005°
γ	90°
Cell volume	3630.4 ± 0.3 Å³
Cell temperature	109.96 ± 0.13 K
Ambient diffraction temperature	109.96 ± 0.13 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1184
Residual factor for significantly intense reflections	0.0878
Weighted residual factors for significantly intense reflections	0.1262
Weighted residual factors for all reflections included in the refinement	0.1357
Goodness-of-fit parameter for all reflections included in the refinement	1.226
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
272294 (current)	2022-01-27	cif/ Adding structures of 1566181 via cif-deposit CGI script.	1566181.cif