Crystallography Open Database

Information card for entry 4003009

Preview

Coordinates	4003009.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	catena-(tetrakis(m2-2-Butylimidazolato)-di-zinc)
Formula	C14 H22 N4 Zn
Calculated formula	C14 H22 N4 Zn
Title of publication	Metal–Organic Frameworks as Fuels for Advanced Applications: Evaluating and Modifying the Combustion Energy of Popular MOFs
Authors of publication	Titi, Hatem M.; Arhangelskis, Mihails; Katsenis, Athanassios D.; Mottillo, Cristina; Ayoub, Ghada; Do, Jean-Louis; Fidelli, Athena M.; Rogers, Robin D.; Friščić, Tomislav
Journal of publication	Chemistry of Materials
Year of publication	2019
Journal volume	31
Journal issue	13
Pages of publication	4882
a	26.7649 ± 0.0018 Å
b	26.7649 ± 0.0018 Å
c	26.7649 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	19173 ± 2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	230
Hermann-Mauguin space group symbol	I a -3 d
Hall space group symbol	-I 4bd 2c 3
Residual factor R(I) for significantly intense reflections	0.076
Goodness-of-fit parameter for all reflections	9.325
Method of determination	powder diffraction
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα~1~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288246 (current)	2023-12-12	Removed the misspelt '_space_group_name_h-m' data name since the same space group information is already provided using proper data names.	4003009.cif
220432	2019-10-29	cif/ Adding structures of 4003009 via cif-deposit CGI script.	4003009.cif