Crystallography Open Database

Information card for entry 4513168

Preview

Coordinates	4513168.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H48 Co3 N10 O24
Calculated formula	C78 H48 Co3 N10 O24
Title of publication	Two New Adenine-Based Co(II) Coordination Polymers: Synthesis, Crystal Structure, Coordination Modes, and Reversible Hydrochromic Behavior
Authors of publication	Burneo, Iván; Stylianou, Kyriakos C.; Rodríguez-Hermida, Sabina; Juanhuix, Jordi; Fontrodona, Xavier; Imaz, Inhar; Maspoch, Daniel
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	7
Pages of publication	3182
a	9.77 Å
b	17.33 Å
c	22.71 Å
α	90°
β	100.9°
γ	90°
Cell volume	3775.75 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1304
Residual factor for significantly intense reflections	0.1265
Weighted residual factors for significantly intense reflections	0.4527
Weighted residual factors for all reflections included in the refinement	0.4673
Goodness-of-fit parameter for all reflections included in the refinement	2.403
Diffraction radiation wavelength	0.79474 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
140075 (current)	2015-07-05	cif/ Updating files of 4513168, 4513169 Original log message: Adding full bibliography for 4513168--4513169.cif.	4513168.cif
138386	2015-06-06	cif/ Adding structures of 4513168 via cif-deposit CGI script.	4513168.cif