Crystallography Open Database

Information card for entry 7039087

Preview

Coordinates	7039087.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H33 N3 P2
Calculated formula	C21 H33 N3 P2
SMILES	C(C)(C)(C)NP(c1ccccc1)N(C)P(c1ccccc1)NC(C)(C)C
Title of publication	Ligands with an NPNPN-framework and their application in chromium catalysed ethene tri-/tetramerization.
Authors of publication	Peulecke, N.; Müller, B H; Spannenberg, A.; Höhne, M; Rosenthal, U.; Wöhl, A; Müller, W; Alqahtani, A.; Al Hazmi, M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	21
Pages of publication	8869 - 8874
a	19.642 ± 0.0004 Å
b	12.6315 ± 0.0002 Å
c	18.2652 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4531.74 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0492
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0976
Weighted residual factors for all reflections included in the refinement	0.1032
Goodness-of-fit parameter for all reflections included in the refinement	1.152
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
185437 (current)	2016-08-07	cif/ Updating files of 7039084, 7039085, 7039086, 7039087, 7039088, 7039089, 7039090 Original log message: Adding full bibliography for 7039084--7039090.cif.	7039087.cif
182337	2016-04-28	cif/ Adding structures of 7039084, 7039085, 7039086, 7039087, 7039088, 7039089, 7039090 via cif-deposit CGI script.	7039087.cif