Crystallography Open Database

Information card for entry 1544056

Preview

Coordinates	1544056.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 Cu N2 O3
Calculated formula	C20 H18 Cu N2 O3
SMILES	[Cu]12(OC(=CC(=[O]1)C)C)[n]1cccc1=C(c1n2ccc1)c1ccccc1O
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	7.112 ± 0.0015 Å
b	13.516 ± 0.003 Å
c	19.323 ± 0.005 Å
α	90°
β	100.67 ± 0.03°
γ	90°
Cell volume	1825.3 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0812
Residual factor for significantly intense reflections	0.0728
Weighted residual factors for significantly intense reflections	0.2039
Weighted residual factors for all reflections included in the refinement	0.2079
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
211137 (current)	2018-09-24	cif/ Removing DOI prefixes from 127 CIF files using cif_fix_values r6433.	1544056.cif
186295	2016-09-08	cif/ Adding structures of 1544056 via cif-deposit CGI script.	1544056.cif