Crystallography Open Database

Information card for entry 4132130

Preview

Coordinates	4132130.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cu4(2-pyr-4-ppyr-cb)2(hfacac)8].8CHCl3
Chemical name	[Cu4(K2,K1-2-pyr-4-ppyr-cb)]2[hfacac]8.8CHCl3
Formula	C60 H36 Cl12 Cu2 F24 N4 O8
Calculated formula	C60 H36 Cl12 Cu2 F24 N4 O8
Title of publication	Putting Cocrystal Stoichiometry to Work: A Reactive Hydrogen-Bonded "Superassembly" Enables Nanoscale Enlargement of a Metal-Organic Rhomboid via a Solid-State Photocycloaddition.
Authors of publication	Chu, Qianli; Duncan, Andrew J. E.; Papaefstathiou, Giannis S.; Hamilton, Tamara D.; Atkinson, Manza B. J.; Mariappan, S. V. Santhana; MacGillivray, Leonard R.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	14
Pages of publication	4940 - 4944
a	14.24 ± 0.003 Å
b	16.4 ± 0.003 Å
c	17.079 ± 0.003 Å
α	74.866 ± 0.005°
β	84.001 ± 0.005°
γ	78.978 ± 0.005°
Cell volume	3772.9 ± 1.2 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190.15 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0849
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1403
Weighted residual factors for all reflections included in the refinement	0.153
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
242172 (current)	2019-11-26	cif/ Adding structures of 4132128, 4132129, 4132130 via cif-deposit CGI script.	4132130.cif