Crystallography Open Database

Information card for entry 7235875

Preview

Coordinates	7235875.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H67 Cl3 N6 O8
Calculated formula	C65 H67 Cl3 N6 O8
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	13.464 ± 0.0006 Å
b	13.6873 ± 0.0006 Å
c	17.0771 ± 0.0006 Å
α	107.657 ± 0.004°
β	95.015 ± 0.003°
γ	95.481 ± 0.003°
Cell volume	2962.5 ± 0.2 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1178
Residual factor for significantly intense reflections	0.0794
Weighted residual factors for significantly intense reflections	0.2113
Weighted residual factors for all reflections included in the refinement	0.2483
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7235875.cif