Crystallography Open Database

Information card for entry 7049448

Preview

Coordinates	7049448.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H2 Cu2 F12 N4 O2
Calculated formula	C12 H2 Cu2 F12 N4 O2
Title of publication	Carbonyl complexes of copper(i) stabilized by bridging fluorinated pyrazolates and halide ions.
Authors of publication	Parasar, Devaborniny; Jayaratna, Naleen B.; Muñoz-Castro, Alvaro; Conway, Allison E.; Mykhailiuk, Pavel K.; Dias, H. V. Rasika
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	19
Pages of publication	6358 - 6371
a	11.4684 ± 0.0014 Å
b	11.5 ± 0.0014 Å
c	12.1867 ± 0.0015 Å
α	68.669 ± 0.003°
β	87.811 ± 0.004°
γ	62.226 ± 0.003°
Cell volume	1307.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0381
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0869
Weighted residual factors for all reflections included in the refinement	0.0877
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224175 (current)	2019-11-08	cif/ Updating files of 7049446, 7049447, 7049448, 7049449, 7049450, 7049451, 7049452 Original log message: Adding full bibliography for 7049446--7049452.cif.	7049448.cif
214330	2019-03-26	cif/ Adding structures of 7049446, 7049447, 7049448, 7049449, 7049450, 7049451, 7049452 via cif-deposit CGI script.	7049448.cif