Crystallography Open Database

Information card for entry 7049450

Preview

Coordinates	7049450.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H3 Cl2 Cu2 F12 N5 O2
Calculated formula	C14 H3 Cl2 Cu2 F12 N5 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	12.1154 ± 0.0017 Å
b	9.6123 ± 0.0013 Å
c	19.084 ± 0.003 Å
α	90°
β	100.863 ± 0.003°
γ	90°
Cell volume	2182.6 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.02 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0297
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0632
Weighted residual factors for all reflections included in the refinement	0.0648
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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.	7049450.cif
214330	2019-03-26	cif/ Adding structures of 7049446, 7049447, 7049448, 7049449, 7049450, 7049451, 7049452 via cif-deposit CGI script.	7049450.cif