Crystallography Open Database

Information card for entry 7219364

7219363 << 7219364 >> 7219365

Preview

Coordinates	7219364.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H17 Cu N5 O
Calculated formula	C15 H17 Cu N5 O
SMILES	[Cu]12([N](CC[N]2(C)C)=Cc2c3ccccc3ccc2O1)N=N#N
Title of publication	Spontaneous resolution of P and M helical copper(II) MOFs built from achiral precursors
Authors of publication	Chattopadhyay, Shouvik; Bhattacharyya, Anik
Journal of publication	RSC Adv.
Year of publication	2015
a	8.011 ± 0.005 Å
b	6.852 ± 0.005 Å
c	14.033 ± 0.005 Å
α	90 ± 0.005°
β	103.777 ± 0.005°
γ	90 ± 0.005°
Cell volume	748.1 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0883
Residual factor for significantly intense reflections	0.0759
Weighted residual factors for significantly intense reflections	0.188
Weighted residual factors for all reflections included in the refinement	0.2097
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
180524 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/93.	7219364.cif
130052	2015-01-22	cif/ Adding structures of 7219364, 7219365 via cif-deposit CGI script.	7219364.cif