Crystallography Open Database

Information card for entry 7235880

Preview

Coordinates	7235880.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H31 Cl3 F4 I2 N2 O4
Calculated formula	C37 H31 Cl3 F4 I2 N2 O4
Title of publication	Solid state halogen bonded networks vs. dynamic assemblies in solution: explaining N⋯X interactions of multivalent building blocks
Authors of publication	Tero, Tiia-Riikka; Salorinne, Kirsi; Malola, Sami; Häkkinen, Hannu; Nissinen, Maija
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	43
Pages of publication	8231
a	11.07141 ± 0.00013 Å
b	44.297 ± 0.0007 Å
c	15.7761 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	7737.1 ± 0.2 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170.15 K
Number of distinct elements	7
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0698
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.0973
Weighted residual factors for all reflections included in the refinement	0.1055
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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
233419 (current)	2019-11-23	cif/ Adding structures of 7235875, 7235876, 7235877, 7235878, 7235879, 7235880 via cif-deposit CGI script.	7235880.cif