Crystallography Open Database

Information card for entry 7235206

Preview

Coordinates	7235206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H40 Br2 Cl4 F4 I2 N4 Ru
Calculated formula	C28 H40 Br2 Cl4 F4 I2 N4 Ru
Title of publication	Halogen bonding (HaB) in E‒I⋯X‒M systems: influence of the halogen donor on the HaB nature
Authors of publication	Dortéz, Silvia; Fernández-Palacio, Francisco; Damián, Jesús; Gaiteiro, Carlos; Ramos, Javier; Gómez-Sal, Pilar; Mosquera, Marta E. G.
Journal of publication	CrystEngComm
Year of publication	2020
Journal volume	22
Journal issue	5
Pages of publication	870 - 877
a	9.3125 ± 0.0004 Å
b	9.3992 ± 0.0004 Å
c	12.7543 ± 0.0005 Å
α	71.759 ± 0.001°
β	81.883 ± 0.002°
γ	80.6 ± 0.002°
Cell volume	1041.2 ± 0.08 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0817
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.2074
Weighted residual factors for all reflections included in the refinement	0.2633
Goodness-of-fit parameter for all reflections included in the refinement	1.138
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
257445 (current)	2020-10-06	cif/ Updating files of 7235204, 7235205, 7235206 Original log message: Adding full bibliography for 7235204--7235206.cif.	7235206.cif
247658	2020-02-04	cif/ Updating files of 7235204, 7235205, 7235206 Original log message: Adding full bibliography for 7235204--7235206.cif.	7235206.cif
231066	2019-11-20	cif/ Adding structures of 7235204, 7235205, 7235206 via cif-deposit CGI script.	7235206.cif