Crystallography Open Database

Information card for entry 1544054

Preview

Coordinates	1544054.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H34 Cu2 F12 N6 O6
Calculated formula	C52 H34 Cu2 F12 N6 O6
Title of publication	Structural diversity in heteroleptic dipyrrinato copper(II) complexes
Authors of publication	Rakesh Kumar Gupta; Rampal Pandey; Amit Kumar; K.V. Ramanujachary; Samuel E. Lofland; Daya Shankar Pandey
Journal of publication	Inorganica Chimica Acta
Year of publication	2014
Pages of publication	518 - 527
a	9.4308 ± 0.0004 Å
b	12.422 ± 0.0005 Å
c	21.3888 ± 0.0009 Å
α	92.411 ± 0.003°
β	96.553 ± 0.004°
γ	98.142 ± 0.003°
Cell volume	2459.9 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0694
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1201
Weighted residual factors for all reflections included in the refinement	0.1256
Goodness-of-fit parameter for all reflections included in the refinement	0.938
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
211137 (current)	2018-09-24	cif/ Removing DOI prefixes from 127 CIF files using cif_fix_values r6433.	1544054.cif
186293	2016-09-08	cif/ Adding structures of 1544054 via cif-deposit CGI script.	1544054.cif