Crystallography Open Database

Information card for entry 7048887

Preview

Coordinates	7048887.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	InPF-51
Chemical name	InPF-51
Formula	C61 H52 Cl2 In2 N3 O13
Calculated formula	C61.0001 H52.0003 Cl2 In2 N3 O13
Title of publication	Anionic and neutral 2D indium metal-organic frameworks as catalysts for the Ugi one-pot multicomponent reaction.
Authors of publication	Reinares-Fisac, Daniel; Aguirre-Díaz, Lina M; Iglesias, Marta; Gutiérrez-Puebla, Enrique; Gándara, Felipe; Monge, M Ángeles
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	9
Pages of publication	2988 - 2995
a	17.3589 ± 0.0006 Å
b	13.041 ± 0.0006 Å
c	25.9082 ± 0.0009 Å
α	90°
β	91.109 ± 0.002°
γ	90°
Cell volume	5863.9 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0798
Residual factor for significantly intense reflections	0.0671
Weighted residual factors for significantly intense reflections	0.1833
Weighted residual factors for all reflections included in the refinement	0.1953
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224319 (current)	2019-11-08	cif/ Updating files of 7048886, 7048887 Original log message: Adding full bibliography for 7048886--7048887.cif.	7048887.cif
213507	2019-02-06	cif/ Adding structures of 7048886, 7048887 via cif-deposit CGI script.	7048887.cif