Crystallography Open Database

Information card for entry 4349922

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Coordinates	4349922.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H7 N5
Calculated formula	C6 H7 N5
Title of publication	Amino-decorated bis(pyrazolate) metal‒organic frameworks for carbon dioxide capture and green conversion into cyclic carbonates
Authors of publication	Vismara, Rebecca; Tuci, Giulia; Mosca, Nello; Domasevitch, Kostiantyn V.; Di Nicola, Corrado; Pettinari, Claudio; Giambastiani, Giuliano; Galli, Simona; Rossin, Andrea
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2019
Journal volume	6
Journal issue	2
Pages of publication	533
a	8.1099 ± 0.0009 Å
b	4.5429 ± 0.0004 Å
c	9.394 ± 0.0012 Å
α	90°
β	107.583 ± 0.013°
γ	90°
Cell volume	329.93 ± 0.07 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	3
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0516
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.0937
Goodness-of-fit parameter for all reflections included in the refinement	0.916
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
236948 (current)	2019-11-24	cif/ Adding structures of 4349919, 4349920, 4349921, 4349922 via cif-deposit CGI script.	4349922.cif