Crystallography Open Database

Information card for entry 7001876

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Coordinates	7001876.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 Cl4 N18 Zn5
Calculated formula	C18 Cl4 N18 Zn5
Title of publication	A cubic coordination framework constructed from benzobistriazolate ligands and zinc ions having selective gas sorption properties
Authors of publication	Biswas, Shyam; Grzywa, Maciej; Nayek, Hari Pada; Dehnen, Stefanie; Senkovska, Irena; Kaskel, Stefan; Volkmer, Dirk
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	33
Pages of publication	6487 - 6495
a	21.6265 ± 0.0009 Å
b	21.6265 ± 0.0009 Å
c	21.6265 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	10114.8 ± 0.7 Å³
Cell temperature	623 ± 2 K
Ambient diffraction temperature	623 ± 2 K
Number of distinct elements	4
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.14
Residual factor for significantly intense reflections	0.1062
Weighted residual factors for significantly intense reflections	0.0881
Weighted residual factors for all reflections included in the refinement	0.0881
Method of determination	powder diffraction
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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