Crystallography Open Database

Information card for entry 7716041

Preview

Coordinates	7716041.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 Br2
Calculated formula	C14 H10 Br2
SMILES	Brc1ccccc1/C=C/c1ccccc1Br
Title of publication	Dinuclear group IV metal complexes based on a bis(indenyl)-(<i>E</i>/<i>Z</i>)-stilbene platform: a potential prototype of "photoswitchable" catalysts for olefin polymerization.
Authors of publication	Romero, Nuria; Chavagnan, Thierry; Roisnel, Thierry; Welle, Alexandre; Kirillov, Evgueni; Carpentier, Jean-François
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	22
Pages of publication	9452 - 9466
a	13.8322 ± 0.0007 Å
b	11.7938 ± 0.0006 Å
c	15.1516 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2471.7 ± 0.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	3
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	0.0998
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.085
Weighted residual factors for all reflections included in the refinement	0.101
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
293017 (current)	2024-07-05	cif/ Updating files of 7716039, 7716040, 7716041, 7716042, 7716043, 7716044, 7716045, 7716046 Original log message: Adding full bibliography for 7716039--7716046.cif.	7716041.cif
291865	2024-05-16	cif/ Adding structures of 7716039, 7716040, 7716041, 7716042, 7716043, 7716044, 7716045, 7716046 via cif-deposit CGI script.	7716041.cif