Crystallography Open Database

Information card for entry 7038434

Preview

Coordinates	7038434.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35.5 H57.5 B N2 P
Calculated formula	C34 H54 B N2 P
SMILES	[P](C=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(C(C)C)(C(C)C)[BH3]
Title of publication	Structurally versatile phosphine and amine donors constructed from N-heterocyclic olefin units.
Authors of publication	Paisley, Nathan R.; Lui, Melanie W.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	24
Pages of publication	9860 - 9870
a	42.175 ± 0.0006 Å
b	42.175 ± 0.0006 Å
c	10.4933 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	16164.2 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0566
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1343
Weighted residual factors for all reflections included in the refinement	0.1428
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
185381 (current)	2016-08-07	cif/ Updating files of 7038430, 7038431, 7038432, 7038433, 7038434, 7038435, 7038436, 7038437, 7038438, 7038439 Original log message: Adding full bibliography for 7038430--7038439.cif.	7038434.cif
176736	2016-02-19	cif/ Adding structures of 7038430, 7038431, 7038432, 7038433, 7038434, 7038435, 7038436, 7038437, 7038438, 7038439 via cif-deposit CGI script.	7038434.cif