Crystallography Open Database

Information card for entry 1548971

Preview

Coordinates	1548971.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C365.84 H508.52 Cl14.16 N26 O29.28 P7
Calculated formula	C365.84 H508.522 Cl14.16 N26 O29.28 P7
Title of publication	Phosphate-phosphate oligomerization drives higher order co-assemblies with stacks of cyanostar macrocycles.
Authors of publication	Fatila, Elisabeth M.; Pink, Maren; Twum, Eric B.; Karty, Jonathan A.; Flood, Amar H.
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	11
Pages of publication	2863 - 2872
a	19.692 ± 0.0015 Å
b	22.3708 ± 0.0016 Å
c	25.201 ± 0.002 Å
α	97.908 ± 0.004°
β	108.437 ± 0.003°
γ	113.456 ± 0.003°
Cell volume	9208.2 ± 1.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1265
Residual factor for significantly intense reflections	0.09
Weighted residual factors for significantly intense reflections	0.2693
Weighted residual factors for all reflections included in the refinement	0.3069
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1548971.html