Crystallography Open Database

Information card for entry 7037913

Preview

Coordinates	7037913.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 Cl2 Cu N2 O5
Calculated formula	C24 H20 Cl2 Cu N2 O5
SMILES	C(=O)(c1ccc(cc1)Cl)O[Cu]([n]1ccccc1)([OH2])([n]1ccccc1)OC(=O)c1ccc(cc1)Cl
Title of publication	The crystal design of polar one-dimensional hydrogen-bonded copper coordination complexes.
Authors of publication	Takahashi, Kiyonori; Hoshino, Norihisa; Takeda, Takashi; Satomi, Koichiro; Suzuki, Yasutaka; Noro, Shin-Ichiro; Nakamura, Takayoshi; Kawamata, Jun; Akutagawa, Tomoyuki
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	8
Pages of publication	3398 - 3406
a	15.8329 ± 0.0004 Å
b	5.82472 ± 0.00013 Å
c	14.7176 ± 0.0003 Å
α	90°
β	122.072 ± 0.0009°
γ	90°
Cell volume	1150.14 ± 0.05 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for all reflections included in the refinement	0.1125
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
177831 (current)	2016-03-05	cif/ Updating files of 7037912, 7037913, 7037914, 7037915, 7037916, 7037917 Original log message: Adding full bibliography for 7037912--7037917.cif.	7037913.cif
173715	2016-01-09	cif/ Adding structures of 7037912, 7037913, 7037914, 7037915, 7037916, 7037917 via cif-deposit CGI script.	7037913.cif