Crystallography Open Database

Information card for entry 7002391

Preview

Coordinates	7002391.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H22.5 Cu N1.5 O6
Calculated formula	C19 H22.5 Cu N1.5 O6
Title of publication	Role of the orientation of ‒OH groups in the sensitivity and selectivity of the interaction of M2+ with ribosyl- and galactosyl-imino-conjugates
Authors of publication	Singhal, Nitin K.; Mitra, Atanu; Rajsekhar, Gudneppanaver; Shaikh, Mobin M.; Kumar, Subodh; Guionneau, Philippe; Rao, Chebrolu P.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	39
Pages of publication	8432 - 8442
a	19.685 ± 0.005 Å
b	7.487 ± 0.005 Å
c	12.504 ± 0.005 Å
α	90 ± 0.005°
β	91.56 ± 0.005°
γ	90 ± 0.005°
Cell volume	1842.2 ± 1.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.029
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0571
Weighted residual factors for all reflections included in the refinement	0.0589
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7002391.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7002391.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002391.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002391.cif