Crystallography Open Database

Information card for entry 7235877

Preview

Coordinates	7235877.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H72 N4 O11
Calculated formula	C63 H72 N4 O11
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	13.4616 ± 0.0002 Å
b	14.1115 ± 0.0003 Å
c	15.8347 ± 0.0004 Å
α	109.783 ± 0.002°
β	93.681 ± 0.0016°
γ	99.7937 ± 0.0016°
Cell volume	2765.08 ± 0.11 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0593
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1444
Weighted residual factors for all reflections included in the refinement	0.1524
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7235877.cif