Crystallography Open Database

Information card for entry 7715126

Preview

Coordinates	7715126.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H71 N P2
Calculated formula	C55 H71 N P2
SMILES	P(Cc1cccc2cc3cccc(c3nc12)CP(C12CC3CC(CC(C1)C3)C2)C12CC3CC(CC(C1)C3)C2)(C12CC3CC(CC(C1)C3)C2)C12CC3CC(CC(C1)C3)C2
Title of publication	Acridine-based copper(I) PNP pincer complexes: catalysts for alkyne hydroboration and borylation of aryl halides.
Authors of publication	Olding, Angus; Lucas, Nigel T.; Ho, Curtis C.; Bissember, Alex C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	10
Pages of publication	4471 - 4478
a	13.3304 ± 0.0002 Å
b	15.2927 ± 0.0002 Å
c	21.3111 ± 0.0003 Å
α	90°
β	92.884 ± 0.001°
γ	90°
Cell volume	4338.93 ± 0.11 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.1041
Weighted residual factors for all reflections included in the refinement	0.1107
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation probe	x-ray
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
290911 (current)	2024-04-05	cif/ Updating files of 7715123, 7715124, 7715125, 7715126, 7715127 Original log message: Adding full bibliography for 7715123--7715127.cif.	7715126.cif
289759	2024-02-09	cif/ Adding structures of 7715123, 7715124, 7715125, 7715126, 7715127 via cif-deposit CGI script.	7715126.cif