Crystallography Open Database

Information card for entry 7214900

Preview

Coordinates	7214900.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H10 B Cu F4 N7 O
Calculated formula	C6 H10 B Cu F4 N7 O
Title of publication	A metal‒organic framework made of an asymmetric 1,2,4-triazole and tetrazole ligand
Authors of publication	Boland, Yves; Tinant, Bernard; Safin, Damir A.; Marchand-Brynaert, Jacqueline; Clérac, Rodolphe; Garcia, Yann
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	23
Pages of publication	8153
a	6.566 ± 0.002 Å
b	10.457 ± 0.003 Å
c	17.386 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1193.7 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0438
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0986
Weighted residual factors for all reflections included in the refinement	0.1013
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180480 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/49.	7214900.cif
110991	2014-04-20	cif/ Adding structures of 7214900 via cif-deposit CGI script.	7214900.cif