Crystallography Open Database

Information card for entry 7125056

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Coordinates	7125056.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[syn,syn,syn-5,10,15-tris(3-pyridyl)-10,15-dihydro-5H-diindeno[1,2-a;1',2'-c]fluorene]rhenium(I)tricarbonyl hexafluorophosphate
Formula	C68 H53 Cl60 F6 N3 O3 P Re
Calculated formula	C48 H33 F6 N3 O3 P Re
Title of publication	Synthesis and photophysical properties of C<sub>3</sub>-symmetric tris(pyridyl)truxene scaffolds of Ru(ii) and Re(i).
Authors of publication	Norouzi-Arasi, Hassan; Pal, Amlan K.; Nag, Samik; Chartrand, Daniel; Hanan, Garry S.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	82
Pages of publication	12159 - 12162
a	13.4468 ± 0.0003 Å
b	13.4468 ± 0.0003 Å
c	53.0891 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	8313.3 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0585
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1444
Weighted residual factors for all reflections included in the refinement	0.1479
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
234473 (current)	2019-11-23	cif/ Adding structures of 7125055, 7125056 via cif-deposit CGI script.	7125056.cif